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1379356-33-8 | 2-(4-Chloro-3-ethylphenyl)ethanethiol
CAS No: 1379356-33-8 Catalog No: AG01FD3E MDL No:
Product Description
Catalog Number:
AG01FD3E
Chemical Name:
2-(4-Chloro-3-ethylphenyl)ethanethiol
CAS Number:
1379356-33-8
Molecular Formula:
C10H13ClS
Molecular Weight:
200.7282
IUPAC Name:
2-(4-chloro-3-ethylphenyl)ethanethiol
InChI:
InChI=1S/C10H13ClS/c1-2-9-7-8(5-6-12)3-4-10(9)11/h3-4,7,12H,2,5-6H2,1H3
InChI Key:
HDHXJWUGLRORDV-UHFFFAOYSA-N
SMILES:
SCCc1ccc(c(c1)CC)Cl
Properties
Complexity:
127
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:
3
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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