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1192-52-5 | 3H-1,2-Dithiol-3-one, 4,5-dichloro-
CAS No: 1192-52-5 Catalog No: AG000ICJ MDL No:MFCD00043025
Product Description
Catalog Number:
AG000ICJ
Chemical Name:
3H-1,2-Dithiol-3-one, 4,5-dichloro-
CAS Number:
1192-52-5
Molecular Formula:
C3Cl2OS2
Molecular Weight:
187.0675
MDL Number:
MFCD00043025
IUPAC Name:
4,5-dichlorodithiol-3-one
InChI:
InChI=1S/C3Cl2OS2/c4-1-2(5)7-8-3(1)6
InChI Key:
QGSRKGWCQSATCL-UHFFFAOYSA-N
SMILES:
Clc1ssc(=O)c1Cl
EC Number:
214-754-5
UNII:
N864R2B87O
NSC Number:
135976
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.877g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.052g/mol
Monoisotopic Mass:
185.877g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
67.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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