| CAS Number | 27421-74-5 |
| Catalog Number | AG01AH5Q(AGN-PC-0MX95I) |
| Chemical Name | 3-Amino-1-[3-(dimethylamino)propyl]thiourea |
| IUPAC Name | 1-amino-3-[3-(dimethylamino)propyl]thiourea |
| InChI | InChI=1S/C6H16N4S/c1-10(2)5-3-4-8-6(11)9-7/h3-5,7H2,1-2H3,(H2,8,9,11) |
| InChI Key | WNEIJHOUKWLPQA-UHFFFAOYSA-N |
| MDL Number | MFCD00041306 |
| Molecular Formula | C6H16N4S |
| Molecular Weight | 176.2830 |
| SMILES | CN(CCCNC(NN)=S)C |
| Synonyms | 3-amino-1-[3-(dimethylamino)propyl]thiourea,
27421-74-5,
N-(3-dimethylaminopropyl)hydrazinecarbothioamide,
SCHEMBL9685017,
WNEIJHOUKWLPQA-UHFFFAOYSA-N,
ZINC2390160,
AKOS009265508,
NE24580,
1-amino-3-[3-(dimethylamino)propyl]thiourea,
4-(3-dimethylaminopropyl)-3-thiosemicarbazide,
EN300-73782,
CID10012455,
3-amino-1-(3-dimethylaminopropyl)thiourea,
|
| Complexity | 115 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 176.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 176.282g/mol |
| Monoisotopic Mass | 176.11g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 85.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number