1-[2-methoxy-6-(methylamino)phenyl]ethenethiol

C10H13NOS — CID 142076504

IUPAC1-[2-methoxy-6-(methylamino)phenyl]ethenethiol
SMILESC=C(S)c1c(NC)cccc1OC
InChIInChI=1S/C10H13NOS/c1-7(13)10-8(11-2)5-4-6-9(10)12-3/h4-6,11,13H,1H2,2-3H3
InChIKeyPEDRSSSUETVSAC-UHFFFAOYSA-N
MW195.29 g/mol
LogP2.64
Rot. Bonds3

About 1-[2-methoxy-6-(methylamino)phenyl]ethenethiol

1-[2-methoxy-6-(methylamino)phenyl]ethenethiol (PubChem CID 142076504) has the molecular formula C10H13NOS and a molecular weight of 195.29 g/mol. Its IUPAC name is 1-[2-methoxy-6-(methylamino)phenyl]ethenethiol.

Molecular Properties

Compound Name1-[2-methoxy-6-(methylamino)phenyl]ethenethiol
PubChem CID142076504
Molecular FormulaC10H13NOS
Molecular Weight195.29 g/mol
Exact Mass195.07
IUPAC Name1-[2-methoxy-6-(methylamino)phenyl]ethenethiol
SMILESC=C(S)c1c(NC)cccc1OC
InChIInChI=1S/C10H13NOS/c1-7(13)10-8(11-2)5-4-6-9(10)12-3/h4-6,11,13H,1H2,2-3H3
InChIKeyPEDRSSSUETVSAC-UHFFFAOYSA-N
XLogP2.64
TPSA21.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dimethyl 2-[hydroxy-[2-methoxy-6-(methylamino)phenyl]methylidene]propanedioate
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Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxy-6-(methylamino)phenyl]ethenethiol?
The IUPAC name of 1-[2-methoxy-6-(methylamino)phenyl]ethenethiol (CID 142076504) is 1-[2-methoxy-6-(methylamino)phenyl]ethenethiol.
What is the SMILES notation for 1-[2-methoxy-6-(methylamino)phenyl]ethenethiol?
The canonical SMILES for 1-[2-methoxy-6-(methylamino)phenyl]ethenethiol is C=C(S)c1c(NC)cccc1OC.
What is the InChIKey of 1-[2-methoxy-6-(methylamino)phenyl]ethenethiol?
The InChIKey is PEDRSSSUETVSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOS/c1-7(13)10-8(11-2)5-4-6-9(10)12-3/h4-6,11,13H,1H2,2-3H3.
What are the key properties of 1-[2-methoxy-6-(methylamino)phenyl]ethenethiol?
1-[2-methoxy-6-(methylamino)phenyl]ethenethiol has a molecular weight of 195.29 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxy-6-(methylamino)phenyl]ethenethiol is sourced from PubChem (CID 142076504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).