5-fluoro-4-methylsulfanyl-1-benzothiophen-6-amine

C9H8FNS2 — CID 130855379

IUPAC5-fluoro-4-methylsulfanyl-1-benzothiophen-6-amine
SMILESCSc1c(F)c(N)cc2sccc12
InChIInChI=1S/C9H8FNS2/c1-12-9-5-2-3-13-7(5)4-6(11)8(9)10/h2-4H,11H2,1H3
InChIKeyLPIYMTMABRQAGR-UHFFFAOYSA-N
MW213.30 g/mol
LogP3.34
Rot. Bonds1

About 5-fluoro-4-methylsulfanyl-1-benzothiophen-6-amine

5-fluoro-4-methylsulfanyl-1-benzothiophen-6-amine (PubChem CID 130855379) has the molecular formula C9H8FNS2 and a molecular weight of 213.30 g/mol. Its IUPAC name is 5-fluoro-4-methylsulfanyl-1-benzothiophen-6-amine.

Molecular Properties

Compound Name5-fluoro-4-methylsulfanyl-1-benzothiophen-6-amine
PubChem CID130855379
Molecular FormulaC9H8FNS2
Molecular Weight213.30 g/mol
Exact Mass213.01
IUPAC Name5-fluoro-4-methylsulfanyl-1-benzothiophen-6-amine
SMILESCSc1c(F)c(N)cc2sccc12
InChIInChI=1S/C9H8FNS2/c1-12-9-5-2-3-13-7(5)4-6(11)8(9)10/h2-4H,11H2,1H3
InChIKeyLPIYMTMABRQAGR-UHFFFAOYSA-N
XLogP3.34
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 53.34
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

6-iodo-4-methylsulfanyl-1-benzothiophene-5-carbaldehyde
CID 130941137
6-amino-1-benzothiophene-4,5-diol
CID 84657940
(6-amino-7-methylsulfanyl-1-benzothiophen-4-yl)methanol
CID 130987910
6-methoxy-5-methylsulfanyl-1-benzothiophene-4-thiol
CID 130971317
6-bromo-4-(bromomethyl)-5-methylsulfanyl-1-benzothiophene
CID 130788896
6-amino-4-methoxy-1-benzothiophen-5-ol
CID 84666228
(5-methylsulfanyl-4-sulfanyl-1-benzothiophen-6-yl)methanol
CID 131219140
6-amino-4-chloro-1-benzothiophene-5-carbonitrile
CID 130792174
5-fluoro-6-iodo-4-methyl-1-benzothiophene
CID 131123102
4-bromo-5-chloro-1-benzothiophen-6-amine
CID 130925603
6-methylsulfanyl-1-benzothiophene-5,7-diamine
CID 131053735
4-methylsulfanylthieno[3,2-c]pyridine
CID 70002726

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methylsulfanyl-1-benzothiophen-6-amine?
The IUPAC name of 5-fluoro-4-methylsulfanyl-1-benzothiophen-6-amine (CID 130855379) is 5-fluoro-4-methylsulfanyl-1-benzothiophen-6-amine.
What is the SMILES notation for 5-fluoro-4-methylsulfanyl-1-benzothiophen-6-amine?
The canonical SMILES for 5-fluoro-4-methylsulfanyl-1-benzothiophen-6-amine is CSc1c(F)c(N)cc2sccc12.
What is the InChIKey of 5-fluoro-4-methylsulfanyl-1-benzothiophen-6-amine?
The InChIKey is LPIYMTMABRQAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNS2/c1-12-9-5-2-3-13-7(5)4-6(11)8(9)10/h2-4H,11H2,1H3.
What are the key properties of 5-fluoro-4-methylsulfanyl-1-benzothiophen-6-amine?
5-fluoro-4-methylsulfanyl-1-benzothiophen-6-amine has a molecular weight of 213.30 g/mol, XLogP of 3.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methylsulfanyl-1-benzothiophen-6-amine is sourced from PubChem (CID 130855379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).