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188825-89-0 | 2(3H)-Benzothiazolethione, 6-(dimethylamino)-3-methyl-
CAS No: 188825-89-0 Catalog No: AG002HDA MDL No:
Product Description
Catalog Number:
AG002HDA
Chemical Name:
2(3H)-Benzothiazolethione, 6-(dimethylamino)-3-methyl-
CAS Number:
188825-89-0
Molecular Formula:
C10H12N2S2
Molecular Weight:
224.3457
IUPAC Name:
6-(dimethylamino)-3-methyl-1,3-benzothiazole-2-thione
InChI:
InChI=1S/C10H12N2S2/c1-11(2)7-4-5-8-9(6-7)14-10(13)12(8)3/h4-6H,1-3H3
InChI Key:
XOLVGIGQMUYJLC-UHFFFAOYSA-N
SMILES:
CN(c1ccc2c(c1)sc(=S)n2C)C
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.044g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.34g/mol
Monoisotopic Mass:
224.044g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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