6-amino-2-methoxy-3-methylbenzenethiol

C8H11NOS — CID 20566093

IUPAC6-amino-2-methoxy-3-methylbenzenethiol
SMILESCOc1c(C)ccc(N)c1S
InChIInChI=1S/C8H11NOS/c1-5-3-4-6(9)8(11)7(5)10-2/h3-4,11H,9H2,1-2H3
InChIKeyOQPMBAPNYWJLTA-UHFFFAOYSA-N
MW169.25 g/mol
LogP1.87
Rot. Bonds1

About 6-amino-2-methoxy-3-methylbenzenethiol

6-amino-2-methoxy-3-methylbenzenethiol (PubChem CID 20566093) has the molecular formula C8H11NOS and a molecular weight of 169.25 g/mol. Its IUPAC name is 6-amino-2-methoxy-3-methylbenzenethiol.

Molecular Properties

Compound Name6-amino-2-methoxy-3-methylbenzenethiol
PubChem CID20566093
Molecular FormulaC8H11NOS
Molecular Weight169.25 g/mol
Exact Mass169.06
IUPAC Name6-amino-2-methoxy-3-methylbenzenethiol
SMILESCOc1c(C)ccc(N)c1S
InChIInChI=1S/C8H11NOS/c1-5-3-4-6(9)8(11)7(5)10-2/h3-4,11H,9H2,1-2H3
InChIKeyOQPMBAPNYWJLTA-UHFFFAOYSA-N
XLogP1.87
TPSA35.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3-bromo-2-methoxy-4-methylaniline
CID 82613869
3-chloro-2-methoxy-6-methylbenzenethiol
CID 91874666
1-methoxy-8-methylnaphthalen-2-amine
CID 115017290
3-bromo-2-methoxy-6-methylaniline
CID 84723819
2,3,4-trimethoxyaniline
CID 15455622
4-methoxy-2,3-dimethylaniline
CID 11094809
ethane;1,2,3-trimethoxy-4-methylbenzene
CID 142152701
2-(2,6-diamino-3-methylphenoxy)-4-methylbenzene-1,3-diamine
CID 168866150
3,6-dimethylbenzene-1,2-dithiol
CID 10036980
1,2,8-trimethoxy-7-methylnaphthalene
CID 53254661
2,4-dimethyl-3-trimethylsilyloxyaniline
CID 167716375
1,2-dibromo-3-methoxy-4-methylbenzene
CID 54359469

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-methoxy-3-methylbenzenethiol?
The IUPAC name of 6-amino-2-methoxy-3-methylbenzenethiol (CID 20566093) is 6-amino-2-methoxy-3-methylbenzenethiol.
What is the SMILES notation for 6-amino-2-methoxy-3-methylbenzenethiol?
The canonical SMILES for 6-amino-2-methoxy-3-methylbenzenethiol is COc1c(C)ccc(N)c1S.
What is the InChIKey of 6-amino-2-methoxy-3-methylbenzenethiol?
The InChIKey is OQPMBAPNYWJLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NOS/c1-5-3-4-6(9)8(11)7(5)10-2/h3-4,11H,9H2,1-2H3.
What are the key properties of 6-amino-2-methoxy-3-methylbenzenethiol?
6-amino-2-methoxy-3-methylbenzenethiol has a molecular weight of 169.25 g/mol, XLogP of 1.87, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-methoxy-3-methylbenzenethiol is sourced from PubChem (CID 20566093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).