6-chloro-2-methoxy-1-benzothiophen-7-amine

C9H8ClNOS — CID 130961312

IUPAC6-chloro-2-methoxy-1-benzothiophen-7-amine
SMILESCOc1cc2ccc(Cl)c(N)c2s1
InChIInChI=1S/C9H8ClNOS/c1-12-7-4-5-2-3-6(10)8(11)9(5)13-7/h2-4H,11H2,1H3
InChIKeyKBQHPSPTIWOEOH-UHFFFAOYSA-N
MW213.69 g/mol
LogP3.15
Rot. Bonds1

About 6-chloro-2-methoxy-1-benzothiophen-7-amine

6-chloro-2-methoxy-1-benzothiophen-7-amine (PubChem CID 130961312) has the molecular formula C9H8ClNOS and a molecular weight of 213.69 g/mol. Its IUPAC name is 6-chloro-2-methoxy-1-benzothiophen-7-amine.

Molecular Properties

Compound Name6-chloro-2-methoxy-1-benzothiophen-7-amine
PubChem CID130961312
Molecular FormulaC9H8ClNOS
Molecular Weight213.69 g/mol
Exact Mass213.00
IUPAC Name6-chloro-2-methoxy-1-benzothiophen-7-amine
SMILESCOc1cc2ccc(Cl)c(N)c2s1
InChIInChI=1S/C9H8ClNOS/c1-12-7-4-5-2-3-6(10)8(11)9(5)13-7/h2-4H,11H2,1H3
InChIKeyKBQHPSPTIWOEOH-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-6-methylsulfanyl-1-benzothiophen-7-amine
CID 130840003
7-fluoro-2-methoxy-1-benzothiophen-6-amine
CID 130956275
6-bromo-7-(chloromethyl)-2-methoxy-1-benzothiophene
CID 130878439
5-chloro-2-methoxy-1-benzothiophene-7-thiol
CID 131076226
7-amino-2-methoxy-1-benzothiophene-5-thiol
CID 131123892
7-fluoro-2-methoxy-1-benzothiophene-6-carbaldehyde
CID 131215370
4-chloro-2-methoxy-1,3-benzothiazol-7-amine
CID 1214915
3,6-dichloro-2-[(4,6-dimethoxypyrimidin-2-yl)methyl]aniline
CID 67348827
6,16-dimethoxy-7,17-dithiapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1,3(11),4(8),5,9,12,14(18),15,19-nonaene
CID 58426675
6-fluoro-7-methoxy-1-benzothiophene-2-thiol
CID 131124415
5-iodo-2-methoxy-1-benzothiophen-4-amine
CID 130970049
2-methoxy-6-methyl-1-benzothiophen-5-amine
CID 130885316

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methoxy-1-benzothiophen-7-amine?
The IUPAC name of 6-chloro-2-methoxy-1-benzothiophen-7-amine (CID 130961312) is 6-chloro-2-methoxy-1-benzothiophen-7-amine.
What is the SMILES notation for 6-chloro-2-methoxy-1-benzothiophen-7-amine?
The canonical SMILES for 6-chloro-2-methoxy-1-benzothiophen-7-amine is COc1cc2ccc(Cl)c(N)c2s1.
What is the InChIKey of 6-chloro-2-methoxy-1-benzothiophen-7-amine?
The InChIKey is KBQHPSPTIWOEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNOS/c1-12-7-4-5-2-3-6(10)8(11)9(5)13-7/h2-4H,11H2,1H3.
What are the key properties of 6-chloro-2-methoxy-1-benzothiophen-7-amine?
6-chloro-2-methoxy-1-benzothiophen-7-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 6-chloro-2-methoxy-1-benzothiophen-7-amine is sourced from PubChem (CID 130961312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).