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315228-79-6 | 6-Benzothiazolecarbonitrile,2,3-dihydro-2-thioxo-(9CI)
CAS No: 315228-79-6 Catalog No: AG00CJ0C MDL No:MFCD11845316
Product Description
Catalog Number:
AG00CJ0C
Chemical Name:
6-Benzothiazolecarbonitrile,2,3-dihydro-2-thioxo-(9CI)
CAS Number:
315228-79-6
Molecular Formula:
C8H4N2S2
Molecular Weight:
192.2608
MDL Number:
MFCD11845316
IUPAC Name:
2-sulfanylidene-3H-1,3-benzothiazole-6-carbonitrile
InChI:
InChI=1S/C8H4N2S2/c9-4-5-1-2-6-7(3-5)12-8(11)10-6/h1-3H,(H,10,11)
InChI Key:
XRIDVJQTZRUCDJ-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)sc(n2)S
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.982g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
192.254g/mol
Monoisotopic Mass:
191.982g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
93.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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