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1016773-88-8 | 2-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetonitrile
CAS No: 1016773-88-8 Catalog No: AG019YQL MDL No:MFCD09934655
Product Description
Catalog Number:
AG019YQL
Chemical Name:
2-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetonitrile
CAS Number:
1016773-88-8
Molecular Formula:
C10H12N2S
Molecular Weight:
192.2807
MDL Number:
MFCD09934655
IUPAC Name:
2-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetonitrile
InChI:
InChI=1S/C10H12N2S/c1-7-2-3-8-9(6-7)13-10(12-8)4-5-11/h7H,2-4,6H2,1H3
InChI Key:
QKBRRZWOBDCNPT-UHFFFAOYSA-N
SMILES:
N#CCc1nc2c(s1)CC(CC2)C
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.072g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.28g/mol
Monoisotopic Mass:
192.072g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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