4,7-dimethyl-1-benzothiophen-2-amine

C10H11NS — CID 131095149

IUPAC4,7-dimethyl-1-benzothiophen-2-amine
SMILESCc1ccc(C)c2sc(N)cc12
InChIInChI=1S/C10H11NS/c1-6-3-4-7(2)10-8(6)5-9(11)12-10/h3-5H,11H2,1-2H3
InChIKeyJGJPSVWCOSLQQA-UHFFFAOYSA-N
MW177.27 g/mol
LogP3.10
Rot. Bonds

About 4,7-dimethyl-1-benzothiophen-2-amine

4,7-dimethyl-1-benzothiophen-2-amine (PubChem CID 131095149) has the molecular formula C10H11NS and a molecular weight of 177.27 g/mol. Its IUPAC name is 4,7-dimethyl-1-benzothiophen-2-amine.

Molecular Properties

Compound Name4,7-dimethyl-1-benzothiophen-2-amine
PubChem CID131095149
Molecular FormulaC10H11NS
Molecular Weight177.27 g/mol
Exact Mass177.06
IUPAC Name4,7-dimethyl-1-benzothiophen-2-amine
SMILESCc1ccc(C)c2sc(N)cc12
InChIInChI=1S/C10H11NS/c1-6-3-4-7(2)10-8(6)5-9(11)12-10/h3-5H,11H2,1-2H3
InChIKeyJGJPSVWCOSLQQA-UHFFFAOYSA-N
XLogP3.10
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-5,7-dimethylthieno[3,2-c]pyridin-4-one
CID 176653424
thieno[3,2-e][1]benzothiole-2,7-diamine
CID 69036958
7-methylthieno[3,2-g][1]benzothiol-2-amine
CID 129228320
2-(bromomethyl)-7-methyl-1-benzothiophen-4-amine
CID 131075929
4,6-dimethyldibenzothiophene
CID 161055331
7-chloro-2-fluoro-4-methyl-1-benzothiophene
CID 131169637
2-amino-7-ethyl-1-benzothiophen-4-ol
CID 130971743
2-amino-7-methoxy-1-benzothiophene-4-thiol
CID 130820839
7-methyl-5-methylsulfanyl-1-benzothiophen-2-amine
CID 131014208
7-aminothieno[3,2-e][1]benzothiol-2-ol
CID 69035510
7-(difluoromethyl)-1-benzothiophene-2,4-diamine
CID 130803243
4-propan-2-yl-1-benzothiophen-2-amine
CID 163391702

Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-1-benzothiophen-2-amine?
The IUPAC name of 4,7-dimethyl-1-benzothiophen-2-amine (CID 131095149) is 4,7-dimethyl-1-benzothiophen-2-amine.
What is the SMILES notation for 4,7-dimethyl-1-benzothiophen-2-amine?
The canonical SMILES for 4,7-dimethyl-1-benzothiophen-2-amine is Cc1ccc(C)c2sc(N)cc12.
What is the InChIKey of 4,7-dimethyl-1-benzothiophen-2-amine?
The InChIKey is JGJPSVWCOSLQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NS/c1-6-3-4-7(2)10-8(6)5-9(11)12-10/h3-5H,11H2,1-2H3.
What are the key properties of 4,7-dimethyl-1-benzothiophen-2-amine?
4,7-dimethyl-1-benzothiophen-2-amine has a molecular weight of 177.27 g/mol, XLogP of 3.10, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyl-1-benzothiophen-2-amine is sourced from PubChem (CID 131095149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).