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111427-22-6 | 2-Thiazolidinethione, 3-(3,4-dimethoxybenzoyl)-
CAS No: 111427-22-6 Catalog No: AG00HC58 MDL No:MFCD03545925
Product Description
Catalog Number:
AG00HC58
Chemical Name:
2-Thiazolidinethione, 3-(3,4-dimethoxybenzoyl)-
CAS Number:
111427-22-6
Molecular Formula:
C12H13NO3S2
Molecular Weight:
283.3665
MDL Number:
MFCD03545925
IUPAC Name:
(3,4-dimethoxyphenyl)-(2-sulfanylidene-1,3-thiazolidin-3-yl)methanone
InChI:
InChI=1S/C12H13NO3S2/c1-15-9-4-3-8(7-10(9)16-2)11(14)13-5-6-18-12(13)17/h3-4,7H,5-6H2,1-2H3
InChI Key:
WCBLMXIHSQIOQM-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)C(=O)N1CCSC1=S
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.034g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.36g/mol
Monoisotopic Mass:
283.034g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
96.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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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