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15871-24-6 | 1,2-Benzisothiazole-3(2H)-thione, 2-methyl-
CAS No: 15871-24-6 Catalog No: AG001QSB MDL No:
Product Description
Catalog Number:
AG001QSB
Chemical Name:
1,2-Benzisothiazole-3(2H)-thione, 2-methyl-
CAS Number:
15871-24-6
Molecular Formula:
C8H7NS2
Molecular Weight:
181.2779
IUPAC Name:
2-methyl-1,2-benzothiazole-3-thione
InChI:
InChI=1S/C8H7NS2/c1-9-8(10)6-4-2-3-5-7(6)11-9/h2-5H,1H3
InChI Key:
RHJDOWRMOQVRAU-UHFFFAOYSA-N
SMILES:
Cn1sc2c(c1=S)cccc2
NSC Number:
158036
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.002g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.271g/mol
Monoisotopic Mass:
181.002g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
60.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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