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126338-59-8 | 1,3-Dithiolane-2-carbonyl chloride, 2-methyl-
CAS No: 126338-59-8 Catalog No: AG000SOT MDL No:
Product Description
Catalog Number:
AG000SOT
Chemical Name:
1,3-Dithiolane-2-carbonyl chloride, 2-methyl-
CAS Number:
126338-59-8
Molecular Formula:
C5H7ClOS2
Molecular Weight:
182.6915
IUPAC Name:
2-methyl-1,3-dithiolane-2-carbonyl chloride
InChI:
InChI=1S/C5H7ClOS2/c1-5(4(6)7)8-2-3-9-5/h2-3H2,1H3
InChI Key:
FHOTVIHXHBVJNR-UHFFFAOYSA-N
SMILES:
ClC(=O)C1(C)SCCS1
Properties
Complexity:
131
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.963g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.68g/mol
Monoisotopic Mass:
181.963g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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