| CAS Number | 871497-72-2 |
| Catalog Number | AG019OQB |
| Chemical Name | 2-[(carbamothioylmethyl)(methyl)amino]-N-(propan-2-yl)acetamide |
| IUPAC Name | 2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-propan-2-ylacetamide |
| InChI | InChI=1S/C8H17N3OS/c1-6(2)10-8(12)5-11(3)4-7(9)13/h6H,4-5H2,1-3H3,(H2,9,13)(H,10,12) |
| InChI Key | KSMSNGZEFGPFCP-UHFFFAOYSA-N |
| MDL Number | MFCD07352292 |
| Molecular Formula | C8H17N3OS |
| Molecular Weight | 203.3051 |
| SMILES | CC(NC(CN(CC(N)=S)C)=O)C |
| Synonyms | 2-[(carbamothioylmethyl)(methyl)amino]-N-(propan-2-yl)acetamide,
871497-72-2,
2-[(2-amino-2-thioxoethyl)(methyl)amino]-N-isopropylacetamide,
AC1OFKWU,
AC1Q1Q76,
CTK6A9983,
ZINC57211588,
AKOS009035734,
MCULE-1472520186,
NE13587,
EN300-14888,
Z111874926,
2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-propan-2-ylacetamide,
CID7131202,
2-(carbamothioylmethyl-methyl-amino)-N-propan-2-yl-acetamide,
|
| Complexity | 194 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 203.109g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.304g/mol |
| Monoisotopic Mass | 203.109g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 90.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number