2-(5-chlorothiophen-2-yl)prop-2-en-1-amine

C7H8ClNS — CID 117266401

IUPAC2-(5-chlorothiophen-2-yl)prop-2-en-1-amine
SMILESC=C(CN)c1ccc(Cl)s1
InChIInChI=1S/C7H8ClNS/c1-5(4-9)6-2-3-7(8)10-6/h2-3H,1,4,9H2
InChIKeyKGXZXJUMTMIEPX-UHFFFAOYSA-N
MW173.67 g/mol
LogP2.37
Rot. Bonds2

About 2-(5-chlorothiophen-2-yl)prop-2-en-1-amine

2-(5-chlorothiophen-2-yl)prop-2-en-1-amine (PubChem CID 117266401) has the molecular formula C7H8ClNS and a molecular weight of 173.67 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)prop-2-en-1-amine
PubChem CID117266401
Molecular FormulaC7H8ClNS
Molecular Weight173.67 g/mol
Exact Mass173.01
IUPAC Name2-(5-chlorothiophen-2-yl)prop-2-en-1-amine
SMILESC=C(CN)c1ccc(Cl)s1
InChIInChI=1S/C7H8ClNS/c1-5(4-9)6-2-3-7(8)10-6/h2-3H,1,4,9H2
InChIKeyKGXZXJUMTMIEPX-UHFFFAOYSA-N
XLogP2.37
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.67
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)prop-2-en-1-amine?
The IUPAC name of 2-(5-chlorothiophen-2-yl)prop-2-en-1-amine (CID 117266401) is 2-(5-chlorothiophen-2-yl)prop-2-en-1-amine.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)prop-2-en-1-amine?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)prop-2-en-1-amine is C=C(CN)c1ccc(Cl)s1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)prop-2-en-1-amine?
The InChIKey is KGXZXJUMTMIEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNS/c1-5(4-9)6-2-3-7(8)10-6/h2-3H,1,4,9H2.
What are the key properties of 2-(5-chlorothiophen-2-yl)prop-2-en-1-amine?
2-(5-chlorothiophen-2-yl)prop-2-en-1-amine has a molecular weight of 173.67 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)prop-2-en-1-amine is sourced from PubChem (CID 117266401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).