Aminomethanesulfonic acid

CH₅NO₃SCAS 13881-91-9111.11 g/mol

Open in Covalent MOL file

Primary amine Sulfonic acid

Properties

Molecular formula: CH₅NO₃S
Molar mass: 111.11 g/mol
Exact mass: 110.9990 Da
Melting point: 182–183 °C
logP: -1.21Crippen estimate
Polar surface area: 80.4 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 1

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

Identifiers

CAS number

13881-91-9

SMILES

NCS(=O)(=O)O

InChIKey

OBESRABRARNZJB-UHFFFAOYSA-N

InChI

InChI=1S/CH5NO3S/c2-1-6(3,4)5/h1-2H2,(H,3,4,5)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names

Methanesulfonic acid, 1-amino-
Methanesulfonic acid, amino-
1-Aminomethanesulfonic acid
(Aminomethyl)sulfonic acid
NSC 209983

Work with Aminomethanesulfonic 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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Taurine107-35-752 % similar Ethanedisulfonic acid110-04-350 % similar Methanedisulfonic acid503-40-250 % similar Homotaurine3687-18-148 % similar 1,3-Propanedisulfonic acid21668-77-945 % similar 1,4-Butanedisulfonic acid27665-39-045 % similar Ethanesulfonic acid594-45-643 % similar Isethionic acid107-36-841 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook