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17799-02-9 | Benzenemethanethiol, 2,5-dichloro-
CAS No: 17799-02-9 Catalog No: AG0025PB MDL No:MFCD21187730
Product Description
Catalog Number:
AG0025PB
Chemical Name:
Benzenemethanethiol, 2,5-dichloro-
CAS Number:
17799-02-9
Molecular Formula:
C7H6Cl2S
Molecular Weight:
193.0935
MDL Number:
MFCD21187730
IUPAC Name:
(2,5-dichlorophenyl)methanethiol
InChI:
InChI=1S/C7H6Cl2S/c8-6-1-2-7(9)5(3-6)4-10/h1-3,10H,4H2
InChI Key:
OZLPKTUDTRJRAF-UHFFFAOYSA-N
SMILES:
SCc1cc(Cl)ccc1Cl
Properties
Complexity:
108
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.957g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
193.085g/mol
Monoisotopic Mass:
191.957g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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