3-chloro-4-methoxy-1-benzothiophen-2-amine

C9H8ClNOS — CID 130884124

IUPAC3-chloro-4-methoxy-1-benzothiophen-2-amine
SMILESCOc1cccc2sc(N)c(Cl)c12
InChIInChI=1S/C9H8ClNOS/c1-12-5-3-2-4-6-7(5)8(10)9(11)13-6/h2-4H,11H2,1H3
InChIKeyNPHNDSUCJFVQJP-UHFFFAOYSA-N
MW213.69 g/mol
LogP3.15
Rot. Bonds1

About 3-chloro-4-methoxy-1-benzothiophen-2-amine

3-chloro-4-methoxy-1-benzothiophen-2-amine (PubChem CID 130884124) has the molecular formula C9H8ClNOS and a molecular weight of 213.69 g/mol. Its IUPAC name is 3-chloro-4-methoxy-1-benzothiophen-2-amine.

Molecular Properties

Compound Name3-chloro-4-methoxy-1-benzothiophen-2-amine
PubChem CID130884124
Molecular FormulaC9H8ClNOS
Molecular Weight213.69 g/mol
Exact Mass213.00
IUPAC Name3-chloro-4-methoxy-1-benzothiophen-2-amine
SMILESCOc1cccc2sc(N)c(Cl)c12
InChIInChI=1S/C9H8ClNOS/c1-12-5-3-2-4-6-7(5)8(10)9(11)13-6/h2-4H,11H2,1H3
InChIKeyNPHNDSUCJFVQJP-UHFFFAOYSA-N
XLogP3.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.69
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-methoxy-1-benzothiophene-2-thiol
CID 130969943
2-fluoro-3,4-dimethoxy-1-benzothiophene
CID 130786112
4-methoxy-1-benzothiophene-2,3-dicarbaldehyde
CID 155577490
2-amino-4-ethoxy-1-benzothiophene-3-thiol
CID 130816645
3-bromo-4-ethoxy-1-benzothiophen-2-amine
CID 131098465
3-bromo-4-methoxy-1-benzothiophene-2-carbaldehyde
CID 130901126
4-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-amine
CID 51674967
ethyl 4-methoxy-3-methyl-1-benzothiophene-2-carboxylate
CID 155577564
methyl 2-amino-4-methyl-1-benzothiophene-3-carboxylate
CID 130154146
2,6-dimethoxyaniline;ethane
CID 145233133
4-methoxy-3-methyl-1,2-benzothiazole
CID 58327602
(2-chloro-3-methoxyphenyl)hydrazine
CID 55279631

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methoxy-1-benzothiophen-2-amine?
The IUPAC name of 3-chloro-4-methoxy-1-benzothiophen-2-amine (CID 130884124) is 3-chloro-4-methoxy-1-benzothiophen-2-amine.
What is the SMILES notation for 3-chloro-4-methoxy-1-benzothiophen-2-amine?
The canonical SMILES for 3-chloro-4-methoxy-1-benzothiophen-2-amine is COc1cccc2sc(N)c(Cl)c12.
What is the InChIKey of 3-chloro-4-methoxy-1-benzothiophen-2-amine?
The InChIKey is NPHNDSUCJFVQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNOS/c1-12-5-3-2-4-6-7(5)8(10)9(11)13-6/h2-4H,11H2,1H3.
What are the key properties of 3-chloro-4-methoxy-1-benzothiophen-2-amine?
3-chloro-4-methoxy-1-benzothiophen-2-amine has a molecular weight of 213.69 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methoxy-1-benzothiophen-2-amine is sourced from PubChem (CID 130884124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).