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1314902-68-5 | 2-(3-Chloro-4-methylphenyl)ethanethiol
CAS No: 1314902-68-5 Catalog No: AG01FCM8 MDL No:
Product Description
Catalog Number:
AG01FCM8
Chemical Name:
2-(3-Chloro-4-methylphenyl)ethanethiol
CAS Number:
1314902-68-5
Molecular Formula:
C9H11ClS
Molecular Weight:
186.7016
IUPAC Name:
2-(3-chloro-4-methylphenyl)ethanethiol
InChI:
InChI=1S/C9H11ClS/c1-7-2-3-8(4-5-11)6-9(7)10/h2-3,6,11H,4-5H2,1H3
InChI Key:
WDBSPWMIKLRGLC-UHFFFAOYSA-N
SMILES:
SCCc1ccc(c(c1)Cl)C
Properties
Complexity:
116
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.027g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
186.697g/mol
Monoisotopic Mass:
186.027g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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