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7774-74-5 | Thiophene-2-thiol
CAS No: 7774-74-5 Catalog No: AG003HYB MDL No:MFCD00051666
Product Description
Catalog Number:
AG003HYB
Chemical Name:
Thiophene-2-thiol
CAS Number:
7774-74-5
Molecular Formula:
C4H4S2
Molecular Weight:
116.2046
MDL Number:
MFCD00051666
IUPAC Name:
thiophene-2-thiol
InChI:
InChI=1S/C4H4S2/c5-4-2-1-3-6-4/h1-3,5H
InChI Key:
SWEDAZLCYJDAGW-UHFFFAOYSA-N
SMILES:
Sc1cccs1
EC Number:
231-881-1
UNII:
F3LB1437XQ
FEMA Number:
3062
Properties
Complexity:
44.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
115.975g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
116.196g/mol
Monoisotopic Mass:
115.975g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| Local electronic properties at organic-metal interfaces: thiophene derivatives on Pt(111). | Physical chemistry chemical physics : PCCP 20121128 |
| 2-(Thio-phen-2-yl)-1-(thio-phen-2-ylmeth-yl)-1H-benzimidazole. | Acta crystallographica. Section E, Structure reports online 20120201 |
| Inactivation of cytochrome P450 (P450) 3A4 but not P450 3A5 by OSI-930, a thiophene-containing anticancer drug. | Drug metabolism and disposition: the biological fate of chemicals 20110201 |
| Differential reactivity of thiophene-2-carboxylic and thiophene-3-carboxylic acids: Results from DFT and Hartree-Fock theory. | Journal of molecular graphics & modelling 20100226 |
| Let's not forget tautomers. | Journal of computer-aided molecular design 20091001 |
| [Review on the tastes and odors compounds in drinking water of China]. | Huan jing ke xue= Huanjing kexue 20090215 |
| New volatile sulfur-containing constituents in a simultaneous distillation-extraction extract of red bell peppers (Capsicum annuum). | Journal of agricultural and food chemistry 20080123 |
| Thiol- and thioether-based bifunctional chelates for the {M(CO)3}+ core (M = Tc, Re). | Inorganic chemistry 20050919 |
| Chelation in metal intoxication XLVI: synthesis of some alpha-mercapto-beta-substituted aryl acrylic acids and their in vitro cadmium chelating ability. | Biomedical and environmental sciences : BES 20040301 |
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