42159-76-2
2-AMINO-6-TERT-BUTYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBONITRILE
Name
2-AMINO-6-TERT-BUTYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBONITRILE
Formula
C13 H18 N2 S
MolWeight
234.365
1Identification
【Name】
2-AMINO-6-TERT-BUTYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBONITRILE
【CAS】
【MDL】
MFCD00128283
【English Synonyms】
【Formula】
C13 H18 N2 S
【MolWeight】
234.365
【Inchi】
InChI=1S/C13H18N2S/c1-13(2,3)8-4-5-9-10(7-14)12(15)16-11(9)6-8/h8H,4-6,15H2,1-3H3
【InChIKey】
InChIKey=QDIYAWBTKKYATE-UHFFFAOYSA-N
【SMILES】
CC(C)(C)C1CCc2c(sc(c2C#N)N)C1
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:2
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-AMINO-6-TERT-BUTYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBONITRILE.cml
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