CAS 54903-50-3 4,5,6,7-Tetrahydrothieno(3,2-c)pyridine (HCID 3085076)

Substructure search Find similar structures

Basic information

CAS: 54903-50-3
Standard SMILES: c1cc2c(s1)CCNC2
InChIKey: OGUWOLDNYOTRBO-UHFFFAOYSA-N
Molecular formula: C7H9NS
Average molar mass: 139.22 g/mol
Monoisotopic mass: 139.04557029

Names & identifiers

Preferred name: 4,5,6,7-Tetrahydrothieno(3,2-c)pyridine
IUPAC: 4,5,6,7-tetrahydrothieno[3,2-c]pyridine
English name: 4,5,6,7-Tetrahydrothieno[3,2-c]pyridine
Molecular formula: C7H9NS
Molecular weight: 139.22

Names & synonyms

4,5,6,7-Tetrahydrothieno[3,2-c]pyridine54903-50-3I3AKK727FU4,5,6,7-Tetrahydrothieno(3,2-c)pyridinePCR-0665DTXSID60203414PCR0665RefChem:96398DTXCID60125905259-389-24,5,6,7-tetrahydro-thieno[3,2-c]pyridineMFCD03839944

Show more names

4H,5H,6H,7H-thieno[3,2-c]pyridine4,5,6,7-hexahydrothieno[3,2-c]pyridine4,5,6,7-Tetrahydrothieno[3,2-]pyridine4,5,6,7-TETRAHYDROTHIENO[3,2-C]PYRIDINE 98%4,5,6,7-Tetrahydro-1H-thieno[3,2-c]pyridineThieno (3,2-C)-4,5,6,7-Tetrahydro Pyridine Hcl

THIENO[3,2-C]PYRIDINE, 4,5,6,7-TETRAHYDRO-CHEMBL1526BDBM502275164,5,6,7-tetrahydro thieno [3,2-c]pyridineZidovudine Impurity FThieno[3,2-c]pyridine, 4,5,6,7-tetrahydro-, hydrochlorideEINECS 259-389-26,7-dihydro-4H-thieno[3,2-c]pyridine

Database identifiers

CAS: 54903-50-3
PubChem CID: 3085076
DTXSID: DTXSID60203414
ChEMBL: CHEMBL1526
UNII: I3AKK727FU
EC Number: 259-389-2
Nikkaji: J22.955E

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 40.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 105

Physicochemical properties

Boiling point: 75 °C/0.5mmHg · 75°C/0.5mmHg(lit.)
Density: 1.143 · 1.143±0.06 g/cm3(Predicted)
refractive index: 1.587 to · 1.5870 to 1.5910
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
form: clear liquid
pka: 9.36 · 9.36±0.20(Predicted)
color: Colorless to Light yellow to Light orange
CAS DataBase Reference: 54903 · 54903-50-3(CAS DataBase Reference)
FDA UNII: 3 AKK727FU · I3AKK727FU
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Hazard Codes: Xi
HS Code: 2934.99 · 2934.99.4400

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code: 2934.99.4400
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313