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4-ethyl-4H,5H,6H,7H-thieno(3,2-c)pyridine

HCID 6485296
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Basic information

CAS
900641-10-3
Standard SMILES
CCC1NCCc2sccc21
InChIKey
URYVPKBHQRLGHP-UHFFFAOYSA-N
Molecular formula
C9H13NS
Average molar mass
167.27 g/mol
Monoisotopic mass
167.07687059

Names & identifiers

Preferred name
4-ethyl-4H,5H,6H,7H-thieno(3,2-c)pyridine
IUPAC
4-ethyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
English name
4-ethyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
Molecular formula
C9H13NS
Molecular weight
167.27

Names & synonyms

4-ethyl-4H,5H,6H,7H-thieno[3,2-c]pyridine4-ethyl-4H,5H,6H,7H-thieno(3,2-c)pyridineRefChem:522801834-328-8900641-10-34-ethyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine4-Ethyl-4,5,6,7-tetrahydro-thieno[3,2-c]pyridineHMS1700B16SCHEMBL1868649DTXSID00424489URYVPKBHQRLGHP-UHFFFAOYSA-NMFCD07366381
Show more names
Thieno[3,2-c]pyridine, 4-ethyl-4,5,6,7-tetrahydro-
SBB010489AKOS000125052DB-412681CS-0248144EN300-392434-ethyl-4,5,6,7-tetrahydrothiopheno[3,2-c]pyridine

Database identifiers

CAS
900641-10-3
PubChem CID
6485296
DTXSID
DTXSID00424489
EC Number
834-328-8

Properties

Computed structural properties

XLogP
2
Topological polar surface area
40.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
11
Formal charge
0
Complexity
138

Physicochemical properties

Symbol(GHS)
7 · GHS07,GHS05
Signal word
Danger
Hazard statements
302 · H302-H315-H318-H335
Precautionary statements
264 · P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (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 CategoriesAcute Tox. 4 (100%)

Safety data

Signal word
Danger
Symbol(GHS)
GHS07,GHS05
Hazard statements
H302-H315-H318-H335
Precautionary statements
P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501

Related reactions

3 records
New reaction record
HRID 157243 reaction equation
HRID 157243As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 550654 reaction equation
HRID 550654As reactantuspto-grants-2011_05
HRID 550655 reaction equation
HRID 550655As reactantuspto-grants-2011_05

Compound notes

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