3,4,5,6-Tetrahydro-2H-cyclopenta(d)(1,3)thiazol-2-imine

HCID 332255

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Basic information

CAS: 53051-97-1
Standard SMILES: Nc1nc2c(s1)CCC2
InChIKey: HUKBELGUWQLEFD-UHFFFAOYSA-N
Molecular formula: C6H8N2S
Average molar mass: 140.21 g/mol
Monoisotopic mass: 140.04081926

Names & identifiers

Preferred name: 3,4,5,6-Tetrahydro-2H-cyclopenta(d)(1,3)thiazol-2-imine
IUPAC: 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine
English name: 5,6-Dihydro-4H-cyclopentathiazol-2-ylamine
Molecular formula: C6H8N2S
Molecular weight: 140.21

Names & synonyms

53051-97-15,6-Dihydro-4H-cyclopentathiazol-2-ylamine5,6-Dihydro-4H-cyclopenta[d][1,3]thiazol-2-amineIQ7FVP5Q7GUNII-IQ7FVP5Q7GNSC 3284423,4,5,6-Tetrahydro-2H-cyclopenta(d)(1,3)thiazol-2-imineNSC-328442DTXSID202010924H-Cyclopentathiazol-2-amine, 5,6-dihydro-5,6-DIHYDRO-4H-CYCLOPENTATHIAZOL-2-AMINE4H-CYCLOPENTATHIAZOLE, 2-AMINO-5,6-DIHYDRO-

Show more names

AKOS BB-9240AKOS BBS-00002729TIMTEC-BB SBB0056532-AMINO-5,6-DIHYDRO-4H-CYCLOPENTATHIAZOLE

5,6-DIHYDRO-4H-CYCLOPENTA(D)(1,3)THIAZOL-2-AMINE3,4,5,6-Tetrahydro-2H-cyclopenta[d][1,3]thiazol-2-imineRefChem:90890DTXCID201235835,6-dihydro-4H-cyclopenta[d]thiazol-2-amine2-Amino-5,6-dihydro-4H-cyclopenta[d]thiazole4H,5H,6H-cyclopenta[d][1,3]thiazol-2-amineMFCD00159774

Database identifiers

CAS: 53051-97-1
PubChem CID: 332255
DTXSID: DTXSID20201092
ChEMBL: CHEMBL5219638
UNII: IQ7FVP5Q7G
EC Number: 671-528-2
Nikkaji: J1.405.535E

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 67.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 118

Physicochemical properties

Melting point: 96 · 96-99°C
Boiling point: 295.5 · 295.5±9.0 °C(Predicted)
Density: 1.354 · 1.354±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C(protect from light)
pka: 6.02 · 6.02±0.20(Predicted)
FDA UNII: 7 FVP5Q7G · IQ7FVP5Q7G
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
HS Code: 2934999090 · 2934999090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.