CAS 556-90-1 2-Aminothiazolinone HCl (HCID 135741997)

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Basic information

CAS: 556-90-1
Standard SMILES: N=C1NC(=O)CS1
InChIKey: HYMJHROUVPWYNQ-UHFFFAOYSA-N
Molecular formula: C3H4N2OS
Average molar mass: 116.14 g/mol
Monoisotopic mass: 116.00443375

Overview

See also: 4(5H)-Thiazolone, 2-amino- (preferred).

Names & identifiers

Preferred name: 2-Aminothiazolinone HCl
IUPAC: 2-imino-1,3-thiazolidin-4-one
English name: Pseudothiohydantoin
Molecular formula: C3H4N2OS
Molecular weight: 116.14

Names & synonyms

2-aminothiazol-4-one2-Aminothiazolinone HClCHEMBL22346502-Amino-4,5-dihydrothiazol-4-oneCS-W005207AC-33843F013701F9826022-aMinothiazol-4-ol2-aminothiazol-4(5H)-one4(5H)-Thiazolone, 2-imino-usafdm-1

Show more names

NSC 2858NSC45956USAF dm-15324-10-7NSC 45956SBB004297

Database identifiers

CAS: 556-90-1
PubChem CID: 135741997
DTXSID: DTXSID9060312
ChEMBL: CHEMBL2234650

Properties

Computed structural properties

XLogP: 0.2
Topological polar surface area: 78.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 7
Formal charge: 0
Complexity: 122

Physicochemical properties

Melting point: 249 °C · 249 °C (dec.)(lit.)
Boiling point: 253.5 · 253.5±23.0 °C(Predicted)
Density: 1.637 g/cm3 · 1.637 g/cm3
refractive index: 1.655 · 1.6550 (estimate)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
pka: 0.54 · 0.54±0.20(Predicted)
form: solid
Appearance: White to yellow Solid
EWG's Food Scores: 1 · 1
EPA Substance Registry System: 4 · 4(5H)-Thiazolone, 2-amino- (556-90-1)
Symbol(GHS): 7 · GHS07,GHS08,GHS02
Signal word: Danger
Hazard statements: 315 · H315-H319-H304-H225
Precautionary statements: 501 · P501-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P331-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P301+P310-P403+P235-P405

Safety & regulation

Safety data

wgk: 3
tsca: TSCA listed
rtecs: XJ6276000
hs_code: 29349990
Signal word: Danger
Symbol(GHS): GHS07,GHS08,GHS02
hazard_code: Xi
safety_code: 24/25
hazard_class: IRRITANT
Hazard statements: H315-H319-H304-H225
Precautionary statements: P501-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P331-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P301+P310-P403+P235-P405