782407-51-6
2-(5-THIOXO-4,5-DIHYDRO-1,3,4-THIADIAZOL-2-YL)ACETONITRILE
Name2-(5-THIOXO-4,5-DIHYDRO-1,3,4-THIADIAZOL-2-YL)ACETONITRILE
1Identification
【Name】
2-(5-THIOXO-4,5-DIHYDRO-1,3,4-THIADIAZOL-2-YL)ACETONITRILE
【CAS】
【MDL】
MFCD18805202
【English Synonyms】
【Formula】
C4 H3 N3 S2
【MolWeight】
157.221
【Inchi】
InChI=1S/C4H3N3S2/c5-2-1-3-6-7-4(8)9-3/h1H2,(H,7,8)
【InChIKey】
InChIKey=CAXJKNLATRLAOG-UHFFFAOYSA-N
【SMILES】
C(C#N)c1n[nH]c(=S)s1
【MOL File】
2-(5-THIOXO-4,5-DIHY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(5-THIOXO-4,5-DIHYDRO-1,3,4-THIADIAZOL-2-YL)ACETONITRILE.cml