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1314904-15-8 | 2-(3-chloro-2-methylphenyl)ethane-1-thiol
CAS No: 1314904-15-8 Catalog No: AG00NZDQ MDL No:MFCD11521179
Product Description
Catalog Number:
AG00NZDQ
Chemical Name:
2-(3-chloro-2-methylphenyl)ethane-1-thiol
CAS Number:
1314904-15-8
Molecular Formula:
C9H11ClS
Molecular Weight:
186.7016
MDL Number:
MFCD11521179
IUPAC Name:
2-(3-chloro-2-methylphenyl)ethanethiol
InChI:
InChI=1S/C9H11ClS/c1-7-8(5-6-11)3-2-4-9(7)10/h2-4,11H,5-6H2,1H3
InChI Key:
SOWUZZWAEAKDMZ-UHFFFAOYSA-N
SMILES:
Cc1c(CCS)cccc1Cl
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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