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89677-36-1 | 2-Thiophenepropanoicacid, a-thioxo-
CAS No: 89677-36-1 Catalog No: AG0043H9 MDL No:MFCD20642158
Product Description
Catalog Number:
AG0043H9
Chemical Name:
2-Thiophenepropanoicacid, a-thioxo-
CAS Number:
89677-36-1
Molecular Formula:
C7H6O2S2
Molecular Weight:
186.2513
MDL Number:
MFCD20642158
IUPAC Name:
2-sulfanylidene-3-thiophen-2-ylpropanoic acid
InChI:
InChI=1S/C7H6O2S2/c8-7(9)6(10)4-5-2-1-3-11-5/h1-3H,4H2,(H,8,9)
InChI Key:
WFXIZTRICNJBSV-UHFFFAOYSA-N
SMILES:
OC(=O)C(=S)Cc1cccs1
NSC Number:
77147
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.981g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
186.243g/mol
Monoisotopic Mass:
185.981g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
97.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| Interactions of diorganolead(IV) with 3-(2-thienyl)-2-sulfanylpropenoic acid and/or thiamine: chemical and in vitro and in vivo toxicological results. | Inorganic chemistry 20100301 |
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