6-(bromomethyl)-2-methylsulfanyl-1-benzothiophen-5-amine

C10H10BrNS2 — CID 130866427

IUPAC6-(bromomethyl)-2-methylsulfanyl-1-benzothiophen-5-amine
SMILESCSc1cc2cc(N)c(CBr)cc2s1
InChIInChI=1S/C10H10BrNS2/c1-13-10-4-6-2-8(12)7(5-11)3-9(6)14-10/h2-4H,5,12H2,1H3
InChIKeyALYSUJMQJRTLPM-UHFFFAOYSA-N
MW288.24 g/mol
LogP4.10
Rot. Bonds2

About 6-(bromomethyl)-2-methylsulfanyl-1-benzothiophen-5-amine

6-(bromomethyl)-2-methylsulfanyl-1-benzothiophen-5-amine (PubChem CID 130866427) has the molecular formula C10H10BrNS2 and a molecular weight of 288.24 g/mol. Its IUPAC name is 6-(bromomethyl)-2-methylsulfanyl-1-benzothiophen-5-amine.

Molecular Properties

Compound Name6-(bromomethyl)-2-methylsulfanyl-1-benzothiophen-5-amine
PubChem CID130866427
Molecular FormulaC10H10BrNS2
Molecular Weight288.24 g/mol
Exact Mass286.94
IUPAC Name6-(bromomethyl)-2-methylsulfanyl-1-benzothiophen-5-amine
SMILESCSc1cc2cc(N)c(CBr)cc2s1
InChIInChI=1S/C10H10BrNS2/c1-13-10-4-6-2-8(12)7(5-11)3-9(6)14-10/h2-4H,5,12H2,1H3
InChIKeyALYSUJMQJRTLPM-UHFFFAOYSA-N
XLogP4.10
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.24
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-5-(chloromethyl)-2-methylsulfanyl-1-benzothiophene
CID 130788795
2-(bromomethyl)-5-methylsulfanyl-1-benzothiophen-6-amine
CID 130884983
7-(bromomethyl)-2-methylsulfanyl-1-benzothiophen-5-ol
CID 130969983
2,6-diethyl-1-benzothiophen-5-amine
CID 130914459
6-(chloromethyl)-1-benzothiophene-2,5-diamine
CID 130788528
2-(bromomethyl)-5-methylsulfanylaniline
CID 91881538
2-(5-amino-2-methyl-1-benzothiophen-6-yl)acetonitrile
CID 131034378
5-amino-2-(bromomethyl)-1-benzothiophene-6-thiol
CID 130805471
2-(bromomethyl)-5-methylsulfanyl-1-benzothiophen-7-amine
CID 131053468
6-(bromomethyl)-2-fluoro-1-benzothiophene-5-carbaldehyde
CID 130866141
2-(bromomethyl)-5-fluoro-6-methylsulfanyl-1-benzothiophene
CID 130985198
6-methylsulfanyl-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14(22),15,17,20,23-undecaene
CID 58411617

Frequently Asked Questions

What is the IUPAC name of 6-(bromomethyl)-2-methylsulfanyl-1-benzothiophen-5-amine?
The IUPAC name of 6-(bromomethyl)-2-methylsulfanyl-1-benzothiophen-5-amine (CID 130866427) is 6-(bromomethyl)-2-methylsulfanyl-1-benzothiophen-5-amine.
What is the SMILES notation for 6-(bromomethyl)-2-methylsulfanyl-1-benzothiophen-5-amine?
The canonical SMILES for 6-(bromomethyl)-2-methylsulfanyl-1-benzothiophen-5-amine is CSc1cc2cc(N)c(CBr)cc2s1.
What is the InChIKey of 6-(bromomethyl)-2-methylsulfanyl-1-benzothiophen-5-amine?
The InChIKey is ALYSUJMQJRTLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNS2/c1-13-10-4-6-2-8(12)7(5-11)3-9(6)14-10/h2-4H,5,12H2,1H3.
What are the key properties of 6-(bromomethyl)-2-methylsulfanyl-1-benzothiophen-5-amine?
6-(bromomethyl)-2-methylsulfanyl-1-benzothiophen-5-amine has a molecular weight of 288.24 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(bromomethyl)-2-methylsulfanyl-1-benzothiophen-5-amine is sourced from PubChem (CID 130866427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).