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114456-82-5 | 3-Thiophenamine, N-[2-(ethenylsulfonyl)ethyl]tetrahydro-, 1,1-dioxide
CAS No: 114456-82-5 Catalog No: AG000EFC MDL No:
Product Description
Catalog Number:
AG000EFC
Chemical Name:
3-Thiophenamine, N-[2-(ethenylsulfonyl)ethyl]tetrahydro-, 1,1-dioxide
CAS Number:
114456-82-5
Molecular Formula:
C8H15NO4S2
Molecular Weight:
253.3390
IUPAC Name:
N-(2-ethenylsulfonylethyl)-1,1-dioxothiolan-3-amine
InChI:
InChI=1S/C8H15NO4S2/c1-2-14(10,11)6-4-9-8-3-5-15(12,13)7-8/h2,8-9H,1,3-7H2
InChI Key:
NNAVIFMDPOFMLQ-UHFFFAOYSA-N
SMILES:
C=CS(=O)(=O)CCNC1CCS(=O)(=O)C1
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.044g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.331g/mol
Monoisotopic Mass:
253.044g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
97.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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