AG000IVU

1195-16-0 | 2-Acetamido-4-mercaptobutyric acid gamma-thiolactone

AG000IVU

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CAS Number	1195-16-0
Catalog Number	AG000IVU(AGN-PC-0BERBC)
Chemical Name	2-Acetamido-4-mercaptobutyric acid gamma-thiolactone
IUPAC Name	N-(2-oxothiolan-3-yl)acetamide
InChI	InChI=1S/C6H9NO2S/c1-4(8)7-5-2-3-10-6(5)9/h5H,2-3H2,1H3,(H,7,8)
InChI Key	NRFJZTXWLKPZAV-UHFFFAOYSA-N
MDL Number	MFCD00005480
Molecular Formula	C6H9NO2S
Molecular Weight	159.2062
RTECS Number	AC8680000
SMILES	CC(NC(CCS1)C1=O)=O
Synonyms	citiolone, citiolone, (+-)-isomer, cythiolone, N-acetylhomocysteine thiolactone, Reducdyn, Thioxidrene, citiolone, 1195-16-0, Citiolase, 17896-21-8, Thioxidrene, Ahctl, Achtl, DL-N-Acetylhomocysteine thiolactone, AHCT, N-Acetylhomocysteine thiolactone, Acetamide, N-(tetrahydro-2-oxo-3-thienyl)-, 3-Acetamidotetrahydro-2-thiophenone, N-(2-Oxotetrahydrothiophen-3-yl)acetamide, 2-Acetamido-4-mercaptobutyric acid gamma-thiolactone, N-(TETRAHYDRO-2-OXO-3-THIENYL)ACETAMIDE, N-Acetylhmocysteinethiolactone, N-Acetyl-dl-homocysteine thiolactone, BO 714, Citiolone [INN:DCF], Citiolonum [INN-Latin], N-(2-oxothiolan-3-yl)acetamide, Citiolona [INN-Spanish], C6H9NO2S, N-Acetylhomocysteinthiolakton, NSC 22878, 2-Acetamido-4-mercaptobutyric acid thiolactone, alpha-Acetamido-gamma-thiobutyrolactone, EINECS 214-793-8, EINECS 241-841-5, N-(Tetrahydro-2-oxothienyl)acetamide, N-(TETRAHYDRO-2-OXO-3-THIENYL)-ACETAMIDE, N-Acetylhomocysteinthiolakton [German], BRN 0004338, NRFJZTXWLKPZAV-UHFFFAOYSA-N, MFCD00005480, AK122075, .alpha.-Acetamido-.gamma.-thiobutyrolactone, (1)-N-(Tetrahydro-2-oxothien-3-yl)acetamide, DSSTox_CID_25888, DSSTox_RID_81202, DSSTox_GSID_45888, cythiolone, Citiolonum, Citiolona, Mucorex, Sitilon, N-(2-oxo-3-3,4,5-trihydrothienyl)acetamide, SR-01000872700, Reducdyn, Prestwick_1, N-Acetyl-DL-homocystein thiolacton, Citiolone (INN), NCGC00016568-01, CAS-1195-16-0, BILE SAC POWDER, Prestwick0_000644, Prestwick1_000644, Prestwick2_000644, Prestwick3_000644, bo714, 2-Thiolanone, 3-acetamido-, BSPBio_000647, 5-18-11-00320 (Beilstein Handbook Reference), n-acetylhomocysteinethiolactone, SCHEMBL364495, SPBio_002568, ACMC-209a31, BPBio1_000713, CHEMBL2104457, DTXSID0045888, CHEBI:94403, CTK8A9399, KS-00000ZKF, N-(2-oxo-3-thiolanyl)acetamide, dl-N-Acetylhomocysteinethiolactone, HMS1570A09, HMS2097A09, HMS3714A09, Pharmakon1600-01503205, 183072-09-5, AC1L2406, HY-B0931, KS-000016BQ, N-Acetyl-DL-homocystein Thiolactone, NSC22878, Tox21_111388, Tox21_113346, ANW-17339, NSC-22878, NSC758402, s4558, SBB056942, AKOS002808092, AKOS016162043, Tox21_113346_1, CCG-213865, FCH1113174, MCULE-3189072897, NSC-758402, VC31147, VZ23451, ACM17896218, N-(2-Oxotetrahydro-3-thienyl)acetamide, NCGC00179491-01, NCGC00179491-04, AN-48828, AS-11951, DL-N-Acetylhomocysteine thiolactone, 98%, LS-10265, n-(tetrahydro-2-oxo-3-thienyl)-acetamid, SC-75542, SBI-0207034.P001, 2-acetamido-4-mercaptobutyricacidthiolactone, AX8126584, DL-3-(Acetylamino)tetrahydro-2-thiophenone, TC-106084, FT-0637623, ST24031306, ST50989901, (R)-N-(2-Oxotetrahydrothiophen-3-yl)acetamide, (S)-N-(2-Oxotetrahydrothiophen-3-yl)acetamide, D07105, K-5482, 2-Acetamido-4-mercaptobutyric acid $g-thiolactone, C-03925, 2-Acetamido-4-mercaptobutyric acid beta-thiolactone, 2-Acetamido-4-mercaptobutyric acid I(3)-thiolactone, I04-0035, J-011416, SR-01000872700-1, SR-01000872700-2, BRD-A57957888-001-01-5, BRD-A57957888-001-06-4, I14-11945, 2-Acetamide-4-mercaptobutyric acid .gamma.-thiolactone, 2-Acetamido-4-mercaptobutyric acid .gamma.-thiolactone, 2-ACETAMIDO-4-MERCAPTOBUTYRIC ACID G-THIOLACTONE, Citiolone [DCF:INN], UNII-70JKL15MUH, 70JKL15MUH, C6-H9-N-O2-S, N-Acetyl-DL-homocysteinethiolactone, CID14520, CS-4400, NCGC00095015-01, R109, A2144, (+-)-N-(tetrahydro-2-oxothien-3-yl)acetamide, Acetamide, N-(tetrahydro-2-oxo-3-thienyl)-, (.+.)-, 75364-47-5,

Complexity	169
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	159.035g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	159.203g/mol
Monoisotopic Mass	159.035g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	71.5A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	-0.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301
Packing Group	Ⅲ
Precautionary statements	P301+P310
Signal Words	danger
UN Code	UN 2811

Certificate of Analysis

Lot Number