[5-(3-chlorothiophen-2-yl)thiophen-2-yl]methanamine

C9H8ClNS2 — CID 107360491

IUPAC[5-(3-chlorothiophen-2-yl)thiophen-2-yl]methanamine
SMILESNCc1ccc(-c2sccc2Cl)s1
InChIInChI=1S/C9H8ClNS2/c10-7-3-4-12-9(7)8-2-1-6(5-11)13-8/h1-4H,5,11H2
InChIKeyPOIAWFAXODFTJH-UHFFFAOYSA-N
MW229.76 g/mol
LogP3.59
Rot. Bonds2

About [5-(3-chlorothiophen-2-yl)thiophen-2-yl]methanamine

[5-(3-chlorothiophen-2-yl)thiophen-2-yl]methanamine (PubChem CID 107360491) has the molecular formula C9H8ClNS2 and a molecular weight of 229.76 g/mol. Its IUPAC name is [5-(3-chlorothiophen-2-yl)thiophen-2-yl]methanamine.

Molecular Properties

Compound Name[5-(3-chlorothiophen-2-yl)thiophen-2-yl]methanamine
PubChem CID107360491
Molecular FormulaC9H8ClNS2
Molecular Weight229.76 g/mol
Exact Mass228.98
IUPAC Name[5-(3-chlorothiophen-2-yl)thiophen-2-yl]methanamine
SMILESNCc1ccc(-c2sccc2Cl)s1
InChIInChI=1S/C9H8ClNS2/c10-7-3-4-12-9(7)8-2-1-6(5-11)13-8/h1-4H,5,11H2
InChIKeyPOIAWFAXODFTJH-UHFFFAOYSA-N
XLogP3.59
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.76
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(3-chlorothiophen-2-yl)thiophen-2-yl]methanamine?
The IUPAC name of [5-(3-chlorothiophen-2-yl)thiophen-2-yl]methanamine (CID 107360491) is [5-(3-chlorothiophen-2-yl)thiophen-2-yl]methanamine.
What is the SMILES notation for [5-(3-chlorothiophen-2-yl)thiophen-2-yl]methanamine?
The canonical SMILES for [5-(3-chlorothiophen-2-yl)thiophen-2-yl]methanamine is NCc1ccc(-c2sccc2Cl)s1.
What is the InChIKey of [5-(3-chlorothiophen-2-yl)thiophen-2-yl]methanamine?
The InChIKey is POIAWFAXODFTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNS2/c10-7-3-4-12-9(7)8-2-1-6(5-11)13-8/h1-4H,5,11H2.
What are the key properties of [5-(3-chlorothiophen-2-yl)thiophen-2-yl]methanamine?
[5-(3-chlorothiophen-2-yl)thiophen-2-yl]methanamine has a molecular weight of 229.76 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-chlorothiophen-2-yl)thiophen-2-yl]methanamine is sourced from PubChem (CID 107360491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).