586965-23-3
CARBAMIMIDOTHIOIC ACID, N-CYANO-N-(CYANOMETHYL)-N-METHYL-, METHYL ESTER
NameCARBAMIMIDOTHIOIC ACID, N-CYANO-N-(CYANOMETHYL)-N-METHYL-, METHYL ESTER
1Identification
【Name】
CARBAMIMIDOTHIOIC ACID, N-CYANO-N-(CYANOMETHYL)-N-METHYL-, METHYL ESTER
【CAS】
【MDL】
MFCD21609072
【English Synonyms】
【Formula】
C6 H8 N4 S
【MolWeight】
168.223
【Inchi】
InChI=1S/C6H8N4S/c1-10(4-3-7)6(11-2)9-5-8/h4H2,1-2H3/b9-6+
【InChIKey】
InChIKey=HTJAMNQNNJEYQT-RMKNXTFCSA-N
【SMILES】
CN(CC#N)/C(=N\C#N)/SC
【MOL File】
CARBAMIMIDOTHIOIC AC….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:-3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
CARBAMIMIDOTHIOIC ACID, N-CYANO-N-(CYANOMETHYL)-N-METHYL-, METHYL ESTER.cml