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Home > Thiazole > 1691018-01-5
1691018-01-5 | 1,1-dioxo-1lambda6,4-thiazepane-4-sulfonyl chloride
CAS No: 1691018-01-5 Catalog No: AG01B3US MDL No:
Product Description
Catalog Number:
AG01B3US
Chemical Name:
1,1-dioxo-1lambda6,4-thiazepane-4-sulfonyl chloride
CAS Number:
1691018-01-5
Molecular Formula:
C5H10ClNO4S2
Molecular Weight:
247.7202
IUPAC Name:
1,1-dioxo-1,4-thiazepane-4-sulfonyl chloride
InChI:
InChI=1S/C5H10ClNO4S2/c6-13(10,11)7-2-1-4-12(8,9)5-3-7/h1-5H2
InChI Key:
SVKXHCSYMMQKBW-UHFFFAOYSA-N
SMILES:
O=S1(=O)CCCN(CC1)S(=O)(=O)Cl
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.974g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.708g/mol
Monoisotopic Mass:
246.974g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
88.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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