2-chloro-4,5-dimethylthiophen-3-amine

C6H8ClNS — CID 114749344

IUPAC2-chloro-4,5-dimethylthiophen-3-amine
SMILESCc1sc(Cl)c(N)c1C
InChIInChI=1S/C6H8ClNS/c1-3-4(2)9-6(7)5(3)8/h8H2,1-2H3
InChIKeyUTTPQGLNPVOXHY-UHFFFAOYSA-N
MW161.66 g/mol
LogP2.60
Rot. Bonds

About 2-chloro-4,5-dimethylthiophen-3-amine

2-chloro-4,5-dimethylthiophen-3-amine (PubChem CID 114749344) has the molecular formula C6H8ClNS and a molecular weight of 161.66 g/mol. Its IUPAC name is 2-chloro-4,5-dimethylthiophen-3-amine.

Molecular Properties

Compound Name2-chloro-4,5-dimethylthiophen-3-amine
PubChem CID114749344
Molecular FormulaC6H8ClNS
Molecular Weight161.66 g/mol
Exact Mass161.01
IUPAC Name2-chloro-4,5-dimethylthiophen-3-amine
SMILESCc1sc(Cl)c(N)c1C
InChIInChI=1S/C6H8ClNS/c1-3-4(2)9-6(7)5(3)8/h8H2,1-2H3
InChIKeyUTTPQGLNPVOXHY-UHFFFAOYSA-N
XLogP2.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.66
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-4-methyl-5-phenylthiophen-3-amine
CID 114749336
2,3,4,5-tetramethylthiophene
CID 162080525
ethane;2,3,4,5-tetramethylthiophene
CID 90998829
2,4,6-trichloro-3,5-dimethylaniline
CID 130155317
2,3,5-trichloro-4-methylthiophene
CID 15073981
(2-amino-4,5-dimethylthiophen-3-yl)-(2-chlorophenyl)methanone
CID 859637
3,4,5-trimethylthiophene-2-carbonyl chloride
CID 20713019
1-chloro-3-methyl-4,5,6,7-tetrahydro-2-benzothiophene
CID 133059990
3-(2,4-dichlorophenyl)-4,5-dimethylthiophen-2-amine
CID 82366103
3-(5-chloro-2-methylphenyl)-4,5-dimethylthiophen-2-amine
CID 82366162
3-amino-5-chloro-4,6-dimethyl-1H-pyridin-2-one
CID 105435348
3-chloro-4-methoxy-5-methylthiophen-2-amine
CID 142407212

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,5-dimethylthiophen-3-amine?
The IUPAC name of 2-chloro-4,5-dimethylthiophen-3-amine (CID 114749344) is 2-chloro-4,5-dimethylthiophen-3-amine.
What is the SMILES notation for 2-chloro-4,5-dimethylthiophen-3-amine?
The canonical SMILES for 2-chloro-4,5-dimethylthiophen-3-amine is Cc1sc(Cl)c(N)c1C.
What is the InChIKey of 2-chloro-4,5-dimethylthiophen-3-amine?
The InChIKey is UTTPQGLNPVOXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClNS/c1-3-4(2)9-6(7)5(3)8/h8H2,1-2H3.
What are the key properties of 2-chloro-4,5-dimethylthiophen-3-amine?
2-chloro-4,5-dimethylthiophen-3-amine has a molecular weight of 161.66 g/mol, XLogP of 2.60, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,5-dimethylthiophen-3-amine is sourced from PubChem (CID 114749344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).