2-(2-chlorothiophen-3-yl)ethanamine;hydrochloride

C6H9Cl2NS — CID 57428860

IUPAC2-(2-chlorothiophen-3-yl)ethanamine;hydrochloride
SMILESCl.NCCc1ccsc1Cl
InChIInChI=1S/C6H8ClNS.ClH/c7-6-5(1-3-8)2-4-9-6;/h2,4H,1,3,8H2;1H
InChIKeyDHDFJTVJZZJIPB-UHFFFAOYSA-N
MW198.12 g/mol
LogP2.32
Rot. Bonds2

About 2-(2-chlorothiophen-3-yl)ethanamine;hydrochloride

2-(2-chlorothiophen-3-yl)ethanamine;hydrochloride (PubChem CID 57428860) has the molecular formula C6H9Cl2NS and a molecular weight of 198.12 g/mol. Its IUPAC name is 2-(2-chlorothiophen-3-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(2-chlorothiophen-3-yl)ethanamine;hydrochloride
PubChem CID57428860
Molecular FormulaC6H9Cl2NS
Molecular Weight198.12 g/mol
Exact Mass196.98
IUPAC Name2-(2-chlorothiophen-3-yl)ethanamine;hydrochloride
SMILESCl.NCCc1ccsc1Cl
InChIInChI=1S/C6H8ClNS.ClH/c7-6-5(1-3-8)2-4-9-6;/h2,4H,1,3,8H2;1H
InChIKeyDHDFJTVJZZJIPB-UHFFFAOYSA-N
XLogP2.32
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.12
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorothiophen-3-yl)ethanamine;hydrochloride?
The IUPAC name of 2-(2-chlorothiophen-3-yl)ethanamine;hydrochloride (CID 57428860) is 2-(2-chlorothiophen-3-yl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(2-chlorothiophen-3-yl)ethanamine;hydrochloride?
The canonical SMILES for 2-(2-chlorothiophen-3-yl)ethanamine;hydrochloride is Cl.NCCc1ccsc1Cl.
What is the InChIKey of 2-(2-chlorothiophen-3-yl)ethanamine;hydrochloride?
The InChIKey is DHDFJTVJZZJIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClNS.ClH/c7-6-5(1-3-8)2-4-9-6;/h2,4H,1,3,8H2;1H.
What are the key properties of 2-(2-chlorothiophen-3-yl)ethanamine;hydrochloride?
2-(2-chlorothiophen-3-yl)ethanamine;hydrochloride has a molecular weight of 198.12 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorothiophen-3-yl)ethanamine;hydrochloride is sourced from PubChem (CID 57428860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).