2,3,4,5-tetrahydrothieno[3,2-c]pyridine;dihydrochloride

C7H11Cl2NS — CID 143873973

IUPAC2,3,4,5-tetrahydrothieno[3,2-c]pyridine;dihydrochloride
SMILESC1=CC2=C(CCS2)CN1.Cl.Cl
InChIInChI=1S/C7H9NS.2ClH/c1-3-8-5-6-2-4-9-7(1)6;;/h1,3,8H,2,4-5H2;2*1H
InChIKeyUZQCUGJUJNMIMN-UHFFFAOYSA-N
MW212.14 g/mol
LogP2.34
Rot. Bonds

About 2,3,4,5-tetrahydrothieno[3,2-c]pyridine;dihydrochloride

2,3,4,5-tetrahydrothieno[3,2-c]pyridine;dihydrochloride (PubChem CID 143873973) has the molecular formula C7H11Cl2NS and a molecular weight of 212.14 g/mol. Its IUPAC name is 2,3,4,5-tetrahydrothieno[3,2-c]pyridine;dihydrochloride.

Molecular Properties

Compound Name2,3,4,5-tetrahydrothieno[3,2-c]pyridine;dihydrochloride
PubChem CID143873973
Molecular FormulaC7H11Cl2NS
Molecular Weight212.14 g/mol
Exact Mass211.00
IUPAC Name2,3,4,5-tetrahydrothieno[3,2-c]pyridine;dihydrochloride
SMILESC1=CC2=C(CCS2)CN1.Cl.Cl
InChIInChI=1S/C7H9NS.2ClH/c1-3-8-5-6-2-4-9-7(1)6;;/h1,3,8H,2,4-5H2;2*1H
InChIKeyUZQCUGJUJNMIMN-UHFFFAOYSA-N
XLogP2.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.14
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,3,4,5-Tetrahydrothieno[3,4-c]pyridine
CID 17801431
2,3,4,5-Tetrahydrothieno[3,2-c]pyridine
CID 69961869
2,3,4,5-Tetrahydrothieno[3,2-c]pyridine 1-oxide
CID 70206543
2,3,7,7a-Tetrahydrothieno[2,3-b]pyridine
CID 130416371
4-Chloro-2,3,4,5-tetrahydrothieno[3,2-c]pyridine
CID 132131614
2,3,4,5-Tetrahydrothieno[3,2-c]pyridine;hydrochloride
CID 140355253
2,4,5,6-Tetrahydrothieno[2,3-c]pyridine
CID 141191333
7-Chloro-2,3,6,7-tetrahydrothieno[2,3-c]pyridine
CID 166842042
2-Iodo-2,3,6,7-tetrahydrothieno[2,3-c]pyridine
CID 166842058
1,5,7,7a-Tetrahydrothieno[3,4-b]pyridine
CID 177054220

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrahydrothieno[3,2-c]pyridine;dihydrochloride?
The IUPAC name of 2,3,4,5-tetrahydrothieno[3,2-c]pyridine;dihydrochloride (CID 143873973) is 2,3,4,5-tetrahydrothieno[3,2-c]pyridine;dihydrochloride.
What is the SMILES notation for 2,3,4,5-tetrahydrothieno[3,2-c]pyridine;dihydrochloride?
The canonical SMILES for 2,3,4,5-tetrahydrothieno[3,2-c]pyridine;dihydrochloride is C1=CC2=C(CCS2)CN1.Cl.Cl.
What is the InChIKey of 2,3,4,5-tetrahydrothieno[3,2-c]pyridine;dihydrochloride?
The InChIKey is UZQCUGJUJNMIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NS.2ClH/c1-3-8-5-6-2-4-9-7(1)6;;/h1,3,8H,2,4-5H2;2*1H.
What are the key properties of 2,3,4,5-tetrahydrothieno[3,2-c]pyridine;dihydrochloride?
2,3,4,5-tetrahydrothieno[3,2-c]pyridine;dihydrochloride has a molecular weight of 212.14 g/mol, XLogP of 2.34, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrahydrothieno[3,2-c]pyridine;dihydrochloride is sourced from PubChem (CID 143873973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).