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86399-31-7 | 4H-1-Benzothiopyran-4-thione, 2,6-dimethyl-
CAS No: 86399-31-7 Catalog No: AG004NMN MDL No:
Product Description
Catalog Number:
AG004NMN
Chemical Name:
4H-1-Benzothiopyran-4-thione, 2,6-dimethyl-
CAS Number:
86399-31-7
Molecular Formula:
C11H10S2
Molecular Weight:
206.3271
IUPAC Name:
2,6-dimethylthiochromene-4-thione
InChI:
InChI=1S/C11H10S2/c1-7-3-4-11-9(5-7)10(12)6-8(2)13-11/h3-6H,1-2H3
InChI Key:
CJFMWLCCNDTONS-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)c(=S)cc(s2)C
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.022g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.321g/mol
Monoisotopic Mass:
206.022g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
57.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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