(2-chlorothiophen-3-yl)-(5-chlorothiophen-2-yl)methanamine

C9H7Cl2NS2 — CID 130700462

IUPAC(2-chlorothiophen-3-yl)-(5-chlorothiophen-2-yl)methanamine
SMILESNC(c1ccc(Cl)s1)c1ccsc1Cl
InChIInChI=1S/C9H7Cl2NS2/c10-7-2-1-6(14-7)8(12)5-3-4-13-9(5)11/h1-4,8H,12H2
InChIKeyJGGAKTPSMMEGOH-UHFFFAOYSA-N
MW264.20 g/mol
LogP4.16
Rot. Bonds2

About (2-chlorothiophen-3-yl)-(5-chlorothiophen-2-yl)methanamine

(2-chlorothiophen-3-yl)-(5-chlorothiophen-2-yl)methanamine (PubChem CID 130700462) has the molecular formula C9H7Cl2NS2 and a molecular weight of 264.20 g/mol. Its IUPAC name is (2-chlorothiophen-3-yl)-(5-chlorothiophen-2-yl)methanamine.

Molecular Properties

Compound Name(2-chlorothiophen-3-yl)-(5-chlorothiophen-2-yl)methanamine
PubChem CID130700462
Molecular FormulaC9H7Cl2NS2
Molecular Weight264.20 g/mol
Exact Mass262.94
IUPAC Name(2-chlorothiophen-3-yl)-(5-chlorothiophen-2-yl)methanamine
SMILESNC(c1ccc(Cl)s1)c1ccsc1Cl
InChIInChI=1S/C9H7Cl2NS2/c10-7-2-1-6(14-7)8(12)5-3-4-13-9(5)11/h1-4,8H,12H2
InChIKeyJGGAKTPSMMEGOH-UHFFFAOYSA-N
XLogP4.16
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.20
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-chlorothiophen-3-yl)-(5-chlorothiophen-2-yl)methanamine?
The IUPAC name of (2-chlorothiophen-3-yl)-(5-chlorothiophen-2-yl)methanamine (CID 130700462) is (2-chlorothiophen-3-yl)-(5-chlorothiophen-2-yl)methanamine.
What is the SMILES notation for (2-chlorothiophen-3-yl)-(5-chlorothiophen-2-yl)methanamine?
The canonical SMILES for (2-chlorothiophen-3-yl)-(5-chlorothiophen-2-yl)methanamine is NC(c1ccc(Cl)s1)c1ccsc1Cl.
What is the InChIKey of (2-chlorothiophen-3-yl)-(5-chlorothiophen-2-yl)methanamine?
The InChIKey is JGGAKTPSMMEGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2NS2/c10-7-2-1-6(14-7)8(12)5-3-4-13-9(5)11/h1-4,8H,12H2.
What are the key properties of (2-chlorothiophen-3-yl)-(5-chlorothiophen-2-yl)methanamine?
(2-chlorothiophen-3-yl)-(5-chlorothiophen-2-yl)methanamine has a molecular weight of 264.20 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorothiophen-3-yl)-(5-chlorothiophen-2-yl)methanamine is sourced from PubChem (CID 130700462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).