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126319-27-5 | 1,3-Benzodithiole, 2-(methylthio)-
CAS No: 126319-27-5 Catalog No: AG000SKP MDL No:
Product Description
Catalog Number:
AG000SKP
Chemical Name:
1,3-Benzodithiole, 2-(methylthio)-
CAS Number:
126319-27-5
Molecular Formula:
C8H8S3
Molecular Weight:
200.3441
IUPAC Name:
2-methylsulfanyl-1,3-benzodithiole
InChI:
InChI=1S/C8H8S3/c1-9-8-10-6-4-2-3-5-7(6)11-8/h2-5,8H,1H3
InChI Key:
VDSKGWPFPTXXAK-UHFFFAOYSA-N
SMILES:
CSC1Sc2c(S1)cccc2
Properties
Complexity:
123
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.979g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.332g/mol
Monoisotopic Mass:
199.979g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
75.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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