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202277-72-3 | 3-Thiophenamine,N-ethyltetrahydro-,1,1-dioxide(9CI)
CAS No: 202277-72-3 Catalog No: AG00C26N MDL No:MFCD02728058
Product Description
Catalog Number:
AG00C26N
Chemical Name:
3-Thiophenamine,N-ethyltetrahydro-,1,1-dioxide(9CI)
CAS Number:
202277-72-3
Molecular Formula:
C6H13NO2S
Molecular Weight:
163.2379
MDL Number:
MFCD02728058
IUPAC Name:
N-ethyl-1,1-dioxothiolan-3-amine
InChI:
InChI=1S/C6H13NO2S/c1-2-7-6-3-4-10(8,9)5-6/h6-7H,2-5H2,1H3
InChI Key:
BNVNYCSJNTUPFM-UHFFFAOYSA-N
SMILES:
CCNC1CCS(=O)(=O)C1
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.067g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
163.235g/mol
Monoisotopic Mass:
163.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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