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

C10H11NOS2 — CID 130840003

IUPAC2-methoxy-6-methylsulfanyl-1-benzothiophen-7-amine
SMILESCOc1cc2ccc(SC)c(N)c2s1
InChIInChI=1S/C10H11NOS2/c1-12-8-5-6-3-4-7(13-2)9(11)10(6)14-8/h3-5H,11H2,1-2H3
InChIKeyQBINRLGRSHAUND-UHFFFAOYSA-N
MW225.34 g/mol
LogP3.21
Rot. Bonds2

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

2-methoxy-6-methylsulfanyl-1-benzothiophen-7-amine (PubChem CID 130840003) has the molecular formula C10H11NOS2 and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-methoxy-6-methylsulfanyl-1-benzothiophen-7-amine.

Molecular Properties

Compound Name2-methoxy-6-methylsulfanyl-1-benzothiophen-7-amine
PubChem CID130840003
Molecular FormulaC10H11NOS2
Molecular Weight225.34 g/mol
Exact Mass225.03
IUPAC Name2-methoxy-6-methylsulfanyl-1-benzothiophen-7-amine
SMILESCOc1cc2ccc(SC)c(N)c2s1
InChIInChI=1S/C10H11NOS2/c1-12-8-5-6-3-4-7(13-2)9(11)10(6)14-8/h3-5H,11H2,1-2H3
InChIKeyQBINRLGRSHAUND-UHFFFAOYSA-N
XLogP3.21
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-2-methoxy-1-benzothiophen-7-amine
CID 130961312
7-fluoro-2-methoxy-1-benzothiophen-6-amine
CID 130956275
(2-amino-6-methylsulfanyl-1-benzothiophen-7-yl)methanol
CID 131076195
4-bromo-2-methoxy-5-methylsulfanyl-1-benzothiophene
CID 130885377
6-bromo-7-(chloromethyl)-2-methoxy-1-benzothiophene
CID 130878439
6-fluoro-7-methoxy-1-benzothiophene-2-thiol
CID 131124415
7-amino-2-methoxy-1-benzothiophene-5-thiol
CID 131123892
3-methyl-6-methylsulfanylbenzene-1,2-diamine
CID 66756534
2-amino-3-methylsulfanylphenol
CID 23540046
4-methyl-2,6-bis(methylsulfanyl)benzene-1,3-diamine;2-methyl-4-methylsulfanylbenzene-1,3-diamine
CID 88506042
6-methylsulfanyl-1-benzothiophene-5,7-diamine
CID 131053735
2-(chloromethyl)-7-iodo-6-methylsulfanyl-1-benzothiophene
CID 130870721

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-methylsulfanyl-1-benzothiophen-7-amine?
The IUPAC name of 2-methoxy-6-methylsulfanyl-1-benzothiophen-7-amine (CID 130840003) is 2-methoxy-6-methylsulfanyl-1-benzothiophen-7-amine.
What is the SMILES notation for 2-methoxy-6-methylsulfanyl-1-benzothiophen-7-amine?
The canonical SMILES for 2-methoxy-6-methylsulfanyl-1-benzothiophen-7-amine is COc1cc2ccc(SC)c(N)c2s1.
What is the InChIKey of 2-methoxy-6-methylsulfanyl-1-benzothiophen-7-amine?
The InChIKey is QBINRLGRSHAUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NOS2/c1-12-8-5-6-3-4-7(13-2)9(11)10(6)14-8/h3-5H,11H2,1-2H3.
What are the key properties of 2-methoxy-6-methylsulfanyl-1-benzothiophen-7-amine?
2-methoxy-6-methylsulfanyl-1-benzothiophen-7-amine has a molecular weight of 225.34 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-methylsulfanyl-1-benzothiophen-7-amine is sourced from PubChem (CID 130840003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).