4-chloro-N,N-dimethylthiophen-2-amine

C6H8ClNS — CID 141075308

IUPAC4-chloro-N,N-dimethylthiophen-2-amine
SMILESCN(C)c1cc(Cl)cs1
InChIInChI=1S/C6H8ClNS/c1-8(2)6-3-5(7)4-9-6/h3-4H,1-2H3
InChIKeyVIPUMSBYJOQLCU-UHFFFAOYSA-N
MW161.66 g/mol
LogP2.47
Rot. Bonds1

About 4-chloro-N,N-dimethylthiophen-2-amine

4-chloro-N,N-dimethylthiophen-2-amine (PubChem CID 141075308) has the molecular formula C6H8ClNS and a molecular weight of 161.66 g/mol. Its IUPAC name is 4-chloro-N,N-dimethylthiophen-2-amine.

Molecular Properties

Compound Name4-chloro-N,N-dimethylthiophen-2-amine
PubChem CID141075308
Molecular FormulaC6H8ClNS
Molecular Weight161.66 g/mol
Exact Mass161.01
IUPAC Name4-chloro-N,N-dimethylthiophen-2-amine
SMILESCN(C)c1cc(Cl)cs1
InChIInChI=1S/C6H8ClNS/c1-8(2)6-3-5(7)4-9-6/h3-4H,1-2H3
InChIKeyVIPUMSBYJOQLCU-UHFFFAOYSA-N
XLogP2.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.66
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N-dimethylthiophen-2-amine?
The IUPAC name of 4-chloro-N,N-dimethylthiophen-2-amine (CID 141075308) is 4-chloro-N,N-dimethylthiophen-2-amine.
What is the SMILES notation for 4-chloro-N,N-dimethylthiophen-2-amine?
The canonical SMILES for 4-chloro-N,N-dimethylthiophen-2-amine is CN(C)c1cc(Cl)cs1.
What is the InChIKey of 4-chloro-N,N-dimethylthiophen-2-amine?
The InChIKey is VIPUMSBYJOQLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClNS/c1-8(2)6-3-5(7)4-9-6/h3-4H,1-2H3.
What are the key properties of 4-chloro-N,N-dimethylthiophen-2-amine?
4-chloro-N,N-dimethylthiophen-2-amine has a molecular weight of 161.66 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N-dimethylthiophen-2-amine is sourced from PubChem (CID 141075308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).