2-methyl-4-methylsulfanyl-1-benzothiophen-6-amine

C10H11NS2 — CID 130816730

IUPAC2-methyl-4-methylsulfanyl-1-benzothiophen-6-amine
SMILESCSc1cc(N)cc2sc(C)cc12
InChIInChI=1S/C10H11NS2/c1-6-3-8-9(12-2)4-7(11)5-10(8)13-6/h3-5H,11H2,1-2H3
InChIKeyUIIRSYUEWXGPPX-UHFFFAOYSA-N
MW209.34 g/mol
LogP3.51
Rot. Bonds1

About 2-methyl-4-methylsulfanyl-1-benzothiophen-6-amine

2-methyl-4-methylsulfanyl-1-benzothiophen-6-amine (PubChem CID 130816730) has the molecular formula C10H11NS2 and a molecular weight of 209.34 g/mol. Its IUPAC name is 2-methyl-4-methylsulfanyl-1-benzothiophen-6-amine.

Molecular Properties

Compound Name2-methyl-4-methylsulfanyl-1-benzothiophen-6-amine
PubChem CID130816730
Molecular FormulaC10H11NS2
Molecular Weight209.34 g/mol
Exact Mass209.03
IUPAC Name2-methyl-4-methylsulfanyl-1-benzothiophen-6-amine
SMILESCSc1cc(N)cc2sc(C)cc12
InChIInChI=1S/C10H11NS2/c1-6-3-8-9(12-2)4-7(11)5-10(8)13-6/h3-5H,11H2,1-2H3
InChIKeyUIIRSYUEWXGPPX-UHFFFAOYSA-N
XLogP3.51
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 53.51
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-chloro-2-methyl-4-methylsulfanyl-1-benzothiophene
CID 130901229
(6-amino-4-methylsulfanyl-1-benzothiophen-2-yl)methanol
CID 130870472
2-iodo-6-methyl-4-methylsulfanyl-1-benzothiophene
CID 131002405
2-iodo-7-methylsulfanyl-1-benzothiophen-5-amine
CID 130816712
1-ethyl-4-methylsulfanylindol-6-amine
CID 126992229
(4-amino-2-methyl-1-benzothiophen-6-yl)methanol
CID 130788851
2-bromo-3-methylsulfanyl-1-benzothiophen-6-amine
CID 131080327
3-chloro-2-methylsulfanyl-1-benzothiophen-6-amine
CID 131080286
5-bromo-3-methylsulfanyl-1-benzothiophen-6-amine
CID 131138123
2-bromo-6-(bromomethyl)-4-methylsulfanyl-1-benzothiophene
CID 131076295
2,5-dimethylthieno[3,2-b]thiophene;ethane
CID 144533203
6-(chloromethyl)-2-iodo-4-methylsulfanyl-1-benzothiophene
CID 131097083

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-methylsulfanyl-1-benzothiophen-6-amine?
The IUPAC name of 2-methyl-4-methylsulfanyl-1-benzothiophen-6-amine (CID 130816730) is 2-methyl-4-methylsulfanyl-1-benzothiophen-6-amine.
What is the SMILES notation for 2-methyl-4-methylsulfanyl-1-benzothiophen-6-amine?
The canonical SMILES for 2-methyl-4-methylsulfanyl-1-benzothiophen-6-amine is CSc1cc(N)cc2sc(C)cc12.
What is the InChIKey of 2-methyl-4-methylsulfanyl-1-benzothiophen-6-amine?
The InChIKey is UIIRSYUEWXGPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NS2/c1-6-3-8-9(12-2)4-7(11)5-10(8)13-6/h3-5H,11H2,1-2H3.
What are the key properties of 2-methyl-4-methylsulfanyl-1-benzothiophen-6-amine?
2-methyl-4-methylsulfanyl-1-benzothiophen-6-amine has a molecular weight of 209.34 g/mol, XLogP of 3.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-methylsulfanyl-1-benzothiophen-6-amine is sourced from PubChem (CID 130816730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).