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21083-32-9 | 1,2-Dithiolan-3-one, 4-chloro-4-methyl-
CAS No: 21083-32-9 Catalog No: AG002L0F MDL No:
Product Description
Catalog Number:
AG002L0F
Chemical Name:
1,2-Dithiolan-3-one, 4-chloro-4-methyl-
CAS Number:
21083-32-9
Molecular Formula:
C4H5ClOS2
Molecular Weight:
168.6649
IUPAC Name:
4-chloro-4-methyldithiolan-3-one
InChI:
InChI=1S/C4H5ClOS2/c1-4(5)2-7-8-3(4)6/h2H2,1H3
InChI Key:
DHJSLSSSJWKLGY-UHFFFAOYSA-N
SMILES:
O=C1SSCC1(C)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:
167.947g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.653g/mol
Monoisotopic Mass:
167.947g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
67.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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