(4-chlorothiophen-2-yl)methanamine

C5H6ClNS — CID 22612083

IUPAC(4-chlorothiophen-2-yl)methanamine
SMILESNCc1cc(Cl)cs1
InChIInChI=1S/C5H6ClNS/c6-4-1-5(2-7)8-3-4/h1,3H,2,7H2
InChIKeyUDLPZWJCNIRBJZ-UHFFFAOYSA-N
MW147.63 g/mol
LogP1.86
Rot. Bonds1

About (4-chlorothiophen-2-yl)methanamine

(4-chlorothiophen-2-yl)methanamine (PubChem CID 22612083) has the molecular formula C5H6ClNS and a molecular weight of 147.63 g/mol. Its IUPAC name is (4-chlorothiophen-2-yl)methanamine.

Molecular Properties

Compound Name(4-chlorothiophen-2-yl)methanamine
PubChem CID22612083
Molecular FormulaC5H6ClNS
Molecular Weight147.63 g/mol
Exact Mass146.99
IUPAC Name(4-chlorothiophen-2-yl)methanamine
SMILESNCc1cc(Cl)cs1
InChIInChI=1S/C5H6ClNS/c6-4-1-5(2-7)8-3-4/h1,3H,2,7H2
InChIKeyUDLPZWJCNIRBJZ-UHFFFAOYSA-N
XLogP1.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.63
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-chlorothiophen-2-yl)methanamine?
The IUPAC name of (4-chlorothiophen-2-yl)methanamine (CID 22612083) is (4-chlorothiophen-2-yl)methanamine.
What is the SMILES notation for (4-chlorothiophen-2-yl)methanamine?
The canonical SMILES for (4-chlorothiophen-2-yl)methanamine is NCc1cc(Cl)cs1.
What is the InChIKey of (4-chlorothiophen-2-yl)methanamine?
The InChIKey is UDLPZWJCNIRBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClNS/c6-4-1-5(2-7)8-3-4/h1,3H,2,7H2.
What are the key properties of (4-chlorothiophen-2-yl)methanamine?
(4-chlorothiophen-2-yl)methanamine has a molecular weight of 147.63 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorothiophen-2-yl)methanamine is sourced from PubChem (CID 22612083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).