![Chemical structure of Ethanethiol, 2-[(3-aminopropyl)amino]-, 1-(dihydrogen phosphate), CAS 20537-88-6](https://api.angenesci.com/structure/542/20537-88-6.png)
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| CAS Number | 20537-88-6 |
| Catalog Number | AG002A12(AGN-PC-0JK64Z) |
| Chemical Name | Ethanethiol, 2-[(3-aminopropyl)amino]-, 1-(dihydrogen phosphate) |
| IUPAC Name | 2-(3-aminopropylamino)ethylsulfanylphosphonic acid |
| InChI | InChI=1S/C5H15N2O3PS/c6-2-1-3-7-4-5-12-11(8,9)10/h7H,1-6H2,(H2,8,9,10) |
| InChI Key | JKOQGQFVAUAYPM-UHFFFAOYSA-N |
| MDL Number | MFCD00453866 |
| Molecular Formula | C5H15N2O3PS |
| Molecular Weight | 214.2230 |
| SMILES | NCCCNCCSP(=O)(O)O |
| UNII | ILA426L95O |
| Synonyms | Amifostine,
Amifostine Anhydrous,
Amifostine Disodium Salt,
Amifostine Monohydrate,
Amifostine Monohydrochloride,
Amifostine Trihydrate,
Aminopropyl Aminoethylthiophosphate,
Aminopropylaminoethylthiophosphate,
Aminopropylaminoethylthiophosphoric Acid,
APAETP,
Ethanethiol, 2-((3-aminopropyl)amino)-, dihydrogen phosphate (ester), trihydrate,
Ethiofos,
Ethiofos Anhydrous,
Ethyol,
Gammaphos,
NSC 296961,
NSC-296961,
NSC296961,
S-(N-(3-Aminopropyl)-2-aminoethyl)thiophosphoric Acid,
WR 2721,
WR-2721,
WR2721,
YM 08310,
YM-08310,
YM08310,
amifostine,
20537-88-6,
Ethiofos,
Gammaphos,
Ethyol,
Sapep,
Apaetp,
Aminopropylaminoethyl thiophosphate,
WR 2721,
2-(3-Aminopropylamino)ethyl thiophosphate,
Amifostina,
NSC-296961,
AU-95722,
YM-08310,
UNII-ILA426L95O,
Amifostine Ethiofos,
NSC296961,
Amifostinum,
C5H15N2O3PS,
Amifostine [USAN:INN:BAN],
NSC 296961,
WR-2721,
S-(2-(3-Aminopropylamino)ethyl) phosphorothioate,
BRN 2088122,
CHEBI:2636,
ILA426L95O,
JKOQGQFVAUAYPM-UHFFFAOYSA-N,
2-(3-aminopropylamino)ethylsulfanylphosphonic acid,
WR 2721C,
S,2-(3-Aminopropylamino)ethyl-phosphorothioic acid,
S-2-(3-Aminopropylamino)ethyl phosphorothioic acid,
NCGC00015073-02,
S-omega-(3-Aminopropylamino)ethyl dihydrogen phosphorothioate,
S-(2-((3-Aminopropyl)amino)ethyl) dihydrogen phosphorothioate,
Acide ((amino-3 propylamino)-2 ethyl)-S-phosphorothioique [French],
Ethanethiol, 2-[(3-aminopropyl)amino]-, 1-(dihydrogen phosphate),
DSSTox_CID_2585,
Ethanethiol, 2-((3-aminopropyl)amino)-, dihydrogen phosphate (ester),
Ethiofos Anhydrous,
DSSTox_RID_76644,
DSSTox_GSID_22585,
({2-[(3-aminopropyl)amino]ethyl}sulfanyl)phosphonic acid,
S-{2-[(3-aminopropyl)amino]ethyl} dihydrogen thiophosphate,
Phosphorothioic acid, S-(2-(3-aminopropylamino)ethyl) ester,
S-(2-((3-aminopropyl)amino)ethyl) O,O-dihydrogen phosphorothioate,
CAS-20537-88-6,
S-[2-(3-Aminopropylamino)ethyl] phosphorothioate,
SR-01000075680,
YM 08310,
S-[2-[(3-Aminopropyl)amino]ethyl] dihydrogen phosphorothioate,
CCRIS 9316,
HSDB 7560,
Amifostine,(S),
Spectrum_000332,
SpecPlus_000647,
Spectrum5_001920,
Lopac-A-5922,
NCIMech_000622,
S 8744,
AC1L1D0F,
CHEMBL1006,
Lopac0_000029,
SCHEMBL18464,
KBioSS_000812,
MLS000028473,
S-2-(3-aminopropylamino)-ethylphosphorothioic acid,
BIDD:GT0059,
DivK1c_006743,
DTXSID8022585,
CTK8F7705,
KBio1_001687,
KBio2_000812,
KBio2_003380,
KBio2_005948,
Acide ((amino-3 propylamino)-2 ethyl)-S-phosphorothioique,
HMS2090I03,
HMS3260E19,
HMS3713C06,
Pharmakon1600-01503081,
2-((3-Aminopropyl)amino)-ethanethiol, dihydrogen phosphate ester,
BCP08957,
HY-B0639,
KS-00001F8B,
Phosphorothioic acid, S-[2-[(3-aminopropyl)amino]ethyl] ester,
Tox21_110077,
Tox21_500029,
CCG-35734,
MFCD00233058,
NSC758236,
ZINC21992285,
AKOS015895196,
Tox21_110077_1,
AC-1126,
API0001443,
CS-2875,
DB01143,
LP00029,
NSC-758236,
RL02548,
SMP2_000335,
NCGC00015073-01,
NCGC00015073-03,
NCGC00015073-04,
NCGC00015073-05,
NCGC00093549-01,
NCGC00093549-02,
NCGC00260714-01,
AN-15218,
AS-13020,
BC215613,
Ethanethiol, dihydrogen phosphate (ester),
NCI60_002485,
SC-18798,
SMR000058413,
Ethanethiol, dihydrogen phosphate- (ester),
SBI-0050018.P003,
AB0012846,
LS-108362,
EU-0100029,
FT-0622272,
37A886,
A 5922,
C06819,
[2-(3-aminopropylamino)ethylthio]phosphonic acid,
33870-EP2275420A1,
33870-EP2295055A2,
33870-EP2295416A2,
33870-EP2295426A1,
33870-EP2295427A1,
33870-EP2298748A2,
33870-EP2298764A1,
33870-EP2298765A1,
33870-EP2305642A2,
33870-EP2311453A1,
33870-EP2311808A1,
33870-EP2311829A1,
AB00053311-04,
AB00053311-05,
AB00053311_06,
A814662,
{S-[2-(3-Aminopropylamino)ethyl]} phosphorothioate,
2-(3-azanylpropylamino)ethylsulfanylphosphonic acid,
I06-0333,
J-013390,
J-519582,
SR-01000075680-1,
SR-01000075680-3,
SR-01000075680-5,
2-(3-Aminopropyl)aminoethyl phosphorothioate; WR2721,
BRD-K73947551-001-01-0,
2-(3-aminopropylamino)ethylsulfanylphosphonic acid,trihydrate,
Phosphorothioic acid, S-[2-[(3-aminopropyl)amino]ethyl]ester,
S-2-(3-aminopropylamino)ethyl O,O-dihydrogen phosphorothioate,
{S-[2-[(3-Aminopropyl)amino]ethyl]} dihydrogen phosphorothioate,
2-((3-Aminopropyl)amino)-ethanethiol, dihydrogen phosphate ester (9CI),
Ethanethiol, {S-[(3-aminopropyl)amino]-,} dihydrogen phosphate- (ester),
Amifostine trihydrate,
Amifostine Anhydrous,
Amifostine monohydrate,
Amifostine Disodium Salt,
D06CIE,
Amifostine Monohydrochloride,
cc-307,
Amifostine [USAN:BAN:INN],
Aminopropylaminoethylthiophosphate,
CID2141,
Aminopropyl Aminoethylthiophosphate,
WR-1065,
WR-2721C,
C5-H15-N2-O3-P-S,
WR2721,
Aminopropylaminoethylthiophosphoric Acid,
CS-O-11591,
WR-1064,
YM08310,
H037,
2-(3-Aminopropyl)aminoethylphosphorothioate,
112901-68-5,
D004999,
S-(N-(3-Aminopropyl)-2-aminoethyl)thiophosphoric Acid,
2-[(3-Aminopropyl)amino]ethanethiol 1-(dihydrogen phosphate),
phosphorothioic acid S-[2-[(3-aminopropyl)amino]ethyl] ester,
Ethanethiol, 2-[(3-aminopropyl)amino]-, dihydrogen phosphate (ester),
Ethanethiol, 2-((3-aminopropyl)amino)-, dihydrogen phosphate (ester), trihydrate,
|
| Complexity | 152 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.22g/mol |
| Monoisotopic Mass | 214.054g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 121A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -4.5 |
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