(2-chloro-4-methylthiophen-3-yl)methanamine

C6H8ClNS — CID 114748589

IUPAC(2-chloro-4-methylthiophen-3-yl)methanamine
SMILESCc1csc(Cl)c1CN
InChIInChI=1S/C6H8ClNS/c1-4-3-9-6(7)5(4)2-8/h3H,2,8H2,1H3
InChIKeyVXWMETPREYVDGK-UHFFFAOYSA-N
MW161.66 g/mol
LogP2.17
Rot. Bonds1

About (2-chloro-4-methylthiophen-3-yl)methanamine

(2-chloro-4-methylthiophen-3-yl)methanamine (PubChem CID 114748589) has the molecular formula C6H8ClNS and a molecular weight of 161.66 g/mol. Its IUPAC name is (2-chloro-4-methylthiophen-3-yl)methanamine.

Molecular Properties

Compound Name(2-chloro-4-methylthiophen-3-yl)methanamine
PubChem CID114748589
Molecular FormulaC6H8ClNS
Molecular Weight161.66 g/mol
Exact Mass161.01
IUPAC Name(2-chloro-4-methylthiophen-3-yl)methanamine
SMILESCc1csc(Cl)c1CN
InChIInChI=1S/C6H8ClNS/c1-4-3-9-6(7)5(4)2-8/h3H,2,8H2,1H3
InChIKeyVXWMETPREYVDGK-UHFFFAOYSA-N
XLogP2.17
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.66
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-methylthiophen-3-yl)methanamine?
The IUPAC name of (2-chloro-4-methylthiophen-3-yl)methanamine (CID 114748589) is (2-chloro-4-methylthiophen-3-yl)methanamine.
What is the SMILES notation for (2-chloro-4-methylthiophen-3-yl)methanamine?
The canonical SMILES for (2-chloro-4-methylthiophen-3-yl)methanamine is Cc1csc(Cl)c1CN.
What is the InChIKey of (2-chloro-4-methylthiophen-3-yl)methanamine?
The InChIKey is VXWMETPREYVDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClNS/c1-4-3-9-6(7)5(4)2-8/h3H,2,8H2,1H3.
What are the key properties of (2-chloro-4-methylthiophen-3-yl)methanamine?
(2-chloro-4-methylthiophen-3-yl)methanamine has a molecular weight of 161.66 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-methylthiophen-3-yl)methanamine is sourced from PubChem (CID 114748589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).