2-(2-Amino-1,3-thiazolyl-4-yl)-2-hydroxyiminoacetic acid

HCID 6399474

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Basic information

CAS: 120570-48-1
Standard SMILES: Nc1nc(/C(=N/O)C(=O)O)cs1
InChIKey: URGSBEYHHRKMJL-UHFFFAOYSA-N
Molecular formula: C5H5N3O3S
Average molar mass: 187.18 g/mol

Overview

structure given in first source

Names & identifiers

Preferred name: 2-(2-Amino-1,3-thiazolyl-4-yl)-2-hydroxyiminoacetic acid
IUPAC: (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetic acid
English name: 4-Thiazoleacetic acid, 2-amino-alpha-(hydroxyimino)
Molecular formula: C5H5N3O3S
Molecular weight: 187.18

Names & synonyms

120570-48-12-Athiaa2-(2-Amino-1,3-thiazolyl-4-yl)-2-hydroxyiminoacetic acidRefChem:8399366338-96-3(Z)-2-(2-Aminothiazol-4-yl)-2-(hydroxyimino)acetic acidMFCD00062754(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetic acid(Z)-2-Amino-alpha-(hydroxyimino)-4-thiazoleacetic acid4-Thiazoleacetic acid, 2-amino-a-(hydroxyimino)-, (aZ)-2-(2-amino-1,3-thiazol-4-yl)-2-(N-hydroxyimino)acetic acid(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(N-hydroxyimino)acetic acid

Show more names

4-THIAZOLEACETICACID,2-AMINO-A-(HYDROXYIMINO)4-Thiazoleacetic acid, 2-amino-α-(hydroxyimino)-2-(2-AMinothiazol-4-yl)-2-(hydroxyiMino)acetic acid4-Thiazoleacetic acid, 2-amino-alpha-(hydroxyimino)

4-Thiazoleacetic acid, 2-amino-alpha-(hydroxyimino)-3Z6K354KXLSCHEMBL1405817(Z)-2-Hydroxyimino-2-(2-aminothiazole-4-yl)acetic acidAKOS006274627AC-5561CS-W005722DS-1872

Database identifiers

CAS: 120570-48-1、66338-96-3
PubChem CID: 6399474
UNII: 3Z6K354KXL
Nikkaji: J1.976.645D

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 137 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 7
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 220

Physicochemical properties

Boiling point: 539.4 · 539.4±42.0 °C(Predicted)
Density: 1.92 · 1.92±0.1 g/cm3(Predicted)
pka: 2.1 · 2.10±0.10(Predicted)

Chemistry & industry

Upstream & downstream products

Upstream raw materials

EHATA

Suppliers71 total

济南百隆化学有限公司[email protected] · [email protected]

广州纳珑化工有限公司13192879270; 13192879270 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

广州隽唐科技有限公司020-36607679 13502246435 · [email protected]

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