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29690-15-1 | Benzene, 4-chloro-1,2-bis(methylthio)-
CAS No: 29690-15-1 Catalog No: AG002Z4Q MDL No:
Product Description
Catalog Number:
AG002Z4Q
Chemical Name:
Benzene, 4-chloro-1,2-bis(methylthio)-
CAS Number:
29690-15-1
Molecular Formula:
C8H9ClS2
Molecular Weight:
204.7401
IUPAC Name:
4-chloro-1,2-bis(methylsulfanyl)benzene
InChI:
InChI=1S/C8H9ClS2/c1-10-7-4-3-6(9)5-8(7)11-2/h3-5H,1-2H3
InChI Key:
QHQGNCZIAZONPD-UHFFFAOYSA-N
SMILES:
CSc1cc(Cl)ccc1SC
Properties
Complexity:
119
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.983g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.73g/mol
Monoisotopic Mass:
203.983g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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