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13101-29-6 | Ethanethioic acid, 2,2,2-trichloro-
CAS No: 13101-29-6 Catalog No: AG000VBY MDL No:
Product Description
Catalog Number:
AG000VBY
Chemical Name:
Ethanethioic acid, 2,2,2-trichloro-
CAS Number:
13101-29-6
Molecular Formula:
C2HCl3OS
Molecular Weight:
179.4527
IUPAC Name:
2,2,2-trichloroethanethioic S-acid
InChI:
InChI=1S/C2HCl3OS/c3-2(4,5)1(6)7/h(H,6,7)
InChI Key:
XSCSTCGXWRKQDM-UHFFFAOYSA-N
SMILES:
OC(=S)C(Cl)(Cl)Cl
Properties
Complexity:
85.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.881g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.439g/mol
Monoisotopic Mass:
177.881g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
18.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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