(2-chlorothiophen-3-yl)methanamine

C5H6ClNS — CID 23241750

IUPAC(2-chlorothiophen-3-yl)methanamine
SMILESNCc1ccsc1Cl
InChIInChI=1S/C5H6ClNS/c6-5-4(3-7)1-2-8-5/h1-2H,3,7H2
InChIKeyXPAXPYCTXJJFCB-UHFFFAOYSA-N
MW147.63 g/mol
LogP1.86
Rot. Bonds1

About (2-chlorothiophen-3-yl)methanamine

(2-chlorothiophen-3-yl)methanamine (PubChem CID 23241750) has the molecular formula C5H6ClNS and a molecular weight of 147.63 g/mol. Its IUPAC name is (2-chlorothiophen-3-yl)methanamine.

Molecular Properties

Compound Name(2-chlorothiophen-3-yl)methanamine
PubChem CID23241750
Molecular FormulaC5H6ClNS
Molecular Weight147.63 g/mol
Exact Mass146.99
IUPAC Name(2-chlorothiophen-3-yl)methanamine
SMILESNCc1ccsc1Cl
InChIInChI=1S/C5H6ClNS/c6-5-4(3-7)1-2-8-5/h1-2H,3,7H2
InChIKeyXPAXPYCTXJJFCB-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 (2-chlorothiophen-3-yl)methanamine?
The IUPAC name of (2-chlorothiophen-3-yl)methanamine (CID 23241750) is (2-chlorothiophen-3-yl)methanamine.
What is the SMILES notation for (2-chlorothiophen-3-yl)methanamine?
The canonical SMILES for (2-chlorothiophen-3-yl)methanamine is NCc1ccsc1Cl.
What is the InChIKey of (2-chlorothiophen-3-yl)methanamine?
The InChIKey is XPAXPYCTXJJFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClNS/c6-5-4(3-7)1-2-8-5/h1-2H,3,7H2.
What are the key properties of (2-chlorothiophen-3-yl)methanamine?
(2-chlorothiophen-3-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 (2-chlorothiophen-3-yl)methanamine is sourced from PubChem (CID 23241750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).