Thioacetic acid
Properties
- Molecular formula
- C2H4OS
- Molar mass
- 76.11 g/mol
- Exact mass
- 75.9983 Da
- Density
- 1.07 g/mL
- Melting point
- below −17 °C
- Boiling point
- 93 °C
- logP
- 0.46Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H225 Highly Flammable liquid and vapor100% of notifiers
- H301 Toxic if swallowed33.5% of notifiers
- H302 Harmful if swallowed59.1% of notifiers
- H314 Causes severe skin burns and eye damage93.8% of notifiers
- H317 May cause an allergic skin reaction67% of notifiers
- H318 Causes serious eye damage26.7% of notifiers
Aggregated from 176 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P272, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P362+P364, P363, P370+P378, P403+P235, P405, P501
Identifiers
CAS number
507-09-5SMILES
CC(=O)SInChIKey
DUYAAUVXQSMXQP-UHFFFAOYSA-NInChI
InChI=1S/C2H4OS/c1-2(3)4/h1H3,(H,3,4)Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
9 names
- Ethanethioic acid
- Acetic acid, thio-
- Ethanethiolic acid
- Thiacetic acid
- Thiolacetic acid
- Methanecarbothiolic acid
- Thionoacetic acid
- Acetyl mercaptan
- Monothioacetic acid
Reactions
Work with Thioacetic acid
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
Tanimoto similarity of circular fingerprints over the whole catalogue.