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13029-14-6 | Disulfide, ethyl trichloromethyl (7CI,8CI,9CI)
CAS No: 13029-14-6 Catalog No: AG000U8E MDL No:
Product Description
Catalog Number:
AG000U8E
Chemical Name:
Disulfide, ethyl trichloromethyl (7CI,8CI,9CI)
CAS Number:
13029-14-6
Molecular Formula:
C3H5Cl3S2
Molecular Weight:
211.5608
IUPAC Name:
(trichloromethyldisulfanyl)ethane
InChI:
InChI=1S/C3H5Cl3S2/c1-2-7-8-3(4,5)6/h2H2,1H3
InChI Key:
YMGGWIYFDBTREZ-UHFFFAOYSA-N
SMILES:
CCSSC(Cl)(Cl)Cl
Properties
Complexity:
60
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.89g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.543g/mol
Monoisotopic Mass:
209.89g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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