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1267666-89-6 | 2-(3-Chloro-6-methoxyphenyl)ethanethiol
CAS No: 1267666-89-6 Catalog No: AG01FC9Z MDL No:
Product Description
Catalog Number:
AG01FC9Z
Chemical Name:
2-(3-Chloro-6-methoxyphenyl)ethanethiol
CAS Number:
1267666-89-6
Molecular Formula:
C9H11ClOS
Molecular Weight:
202.7010
IUPAC Name:
2-(5-chloro-2-methoxyphenyl)ethanethiol
InChI:
InChI=1S/C9H11ClOS/c1-11-9-3-2-8(10)6-7(9)4-5-12/h2-3,6,12H,4-5H2,1H3
InChI Key:
DWWRIYSJMLGZGR-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1CCS)Cl
Properties
Complexity:
132
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.022g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
202.696g/mol
Monoisotopic Mass:
202.022g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
10.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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