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
Similar compounds
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds