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90418-93-2 | 5-Benzothiazolecarbonitrile, 2-methyl-
CAS No: 90418-93-2 Catalog No: AG00IG4Y MDL No:MFCD18415973
Product Description
Catalog Number:
AG00IG4Y
Chemical Name:
5-Benzothiazolecarbonitrile, 2-methyl-
CAS Number:
90418-93-2
Molecular Formula:
C9H6N2S
Molecular Weight:
174.2223
MDL Number:
MFCD18415973
IUPAC Name:
2-methyl-1,3-benzothiazole-5-carbonitrile
InChI:
InChI=1S/C9H6N2S/c1-6-11-8-4-7(5-10)2-3-9(8)12-6/h2-4H,1H3
InChI Key:
LMGBAGZYSFICDQ-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)nc(s2)C
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.025g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.221g/mol
Monoisotopic Mass:
174.025g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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