127981-98-0
2-AMINO-4,5,6,7-TETRAHYDRO-BENZO[B]THIOPHENE-4-CARBONITRILE
Name2-AMINO-4,5,6,7-TETRAHYDRO-BENZO[B]THIOPHENE-4-CARBONITRILE
1Identification
【Name】
2-AMINO-4,5,6,7-TETRAHYDRO-BENZO[B]THIOPHENE-4-CARBONITRILE
【CAS】
【MDL】
MFCD18825767
【English Synonyms】
【Formula】
C9 H10 N2 S
【MolWeight】
178.258
【Inchi】
InChI=1S/C9H10N2S/c10-5-6-2-1-3-8-7(6)4-9(11)12-8/h4,6H,1-3,11H2
【InChIKey】
InChIKey=YFSOWLFQPGTDOL-UHFFFAOYSA-N
【SMILES】
c1c2c(sc1N)CCCC2C#N
【MOL File】
2-AMINO-4,5,6,7-TETR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:2
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-AMINO-4,5,6,7-TETRAHYDRO-BENZO[B]THIOPHENE-4-CARBONITRILE.cml