2-(2-Pyrimidinylthio)acetic acid
Properties
- Molecular formula
- C6H6N2O2S
- Molar mass
- 170.19 g/mol
- Exact mass
- 170.0150 Da
- Melting point
- 199–200 °C
- logP
- 0.65Crippen estimate
- Polar surface area
- 63.1 Ų
- H-bond donors / acceptors
- 1 / 4
- Rotatable bonds
- 3
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
88768-45-0SMILES
O=C(O)CSc1ncccn1InChIKey
NIEOYUNNKKAQKI-UHFFFAOYSA-NInChI
InChI=1S/C6H6N2O2S/c9-5(10)4-11-6-7-2-1-3-8-6/h1-3H,4H2,(H,9,10)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
10 names
- Acetic acid, 2-(2-pyrimidinylthio)-
- Acetic acid, (2-pyrimidinylthio)-
- (2-Pyrimidylthio)acetic acid
- [(Pyrimidin-2-yl)thio]acetic acid
- 4-Pyrimidylthioacetic acid
- 2-(Carboxymethylthio)pyrimidine
- (Pyrimidin-2-ylsulfanyl)acetic acid
- 2-(Pyrimidin-2-ylsulfanyl)acetic acid
- 2-Pyrimidin-2-ylsulfanylacetic acid
- (Pyrimidin-2-ylthio)acetic acid
Work with 2-(2-Pyrimidinylthio)acetic acid
Similar compounds
2-[(4-Methyl-2-pyrimidinyl)thio]acetic acid46118-95-058 % similar
(Phenylthio)acetic acid103-04-855 % similar
(4-Pyridylthio)acetic acid10351-19-655 % similar
2-((4,6-Dimethyl-2-pyrimidinyl)thio)acetic acid55749-30-954 % similar
2-(2-Benzothiazolylthio)acetic acid6295-57-445 % similar
2-[(Carboxymethyl)thio]benzoic acid135-13-745 % similar
2-[(4-Aminophenyl)thio]acetic acid104-18-744 % similar
2-[(4-Fluorophenyl)thio]acetic acid332-51-444 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.