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1379353-19-1 | 2-(4-Chloro-3,5-dimethylphenyl)ethanethiol
CAS No: 1379353-19-1 Catalog No: AG01FBA0 MDL No:
Product Description
Catalog Number:
AG01FBA0
Chemical Name:
2-(4-Chloro-3,5-dimethylphenyl)ethanethiol
CAS Number:
1379353-19-1
Molecular Formula:
C10H13ClS
Molecular Weight:
200.7282
IUPAC Name:
2-(4-chloro-3,5-dimethylphenyl)ethanethiol
InChI:
InChI=1S/C10H13ClS/c1-7-5-9(3-4-12)6-8(2)10(7)11/h5-6,12H,3-4H2,1-2H3
InChI Key:
UVHDMMLWUFJZTG-UHFFFAOYSA-N
SMILES:
SCCc1cc(C)c(c(c1)C)Cl
Properties
Complexity:
126
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.043g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
200.724g/mol
Monoisotopic Mass:
200.043g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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