Thiophene-2-thiol - CAS 7774-74-5
Catalog: |
BB053741 |
Product Name: |
Thiophene-2-thiol |
CAS: |
7774-74-5 |
Synonyms: |
THIOPHENETHIOL; THIOPHENE-2-THIOL; 2-Thienyl hydrosulfide; FEMA 3062; 2-MERCAPTOTHIOPHENE; 2-THIENYL MERCAPTAN; 2-THIOPHENETHIOL; 2-THIOPHENTHIOL |
IUPAC Name: | thiophene-2-thiol |
Molecular Weight: | 116.19 |
Molecular Formula: | C4H4S2 |
Canonical SMILES: | C1=CSC(=C1)S |
InChI: | InChI=1S/C4H4S2/c5-4-2-1-3-6-4/h1-3,5H |
InChI Key: | SWEDAZLCYJDAGW-UHFFFAOYSA-N |
Boiling Point: | 166.00 °C at 760.00 mm Hg |
Purity: | >97% |
Density: | 1.23±0.1 g/cm3 |
Appearance: | Light Yellow to Brown Liquid |
LogP: | 2.100 (est) |
GHS Hazard Statement: | H302 (96.48%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (96.2%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H332 (96.48%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (14.58%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P319, P321, P330, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 44.8 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 115.97544247 |
Formal Charge: | 0 |
Heavy Atom Count: | 6 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 115.97544247 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 29.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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