1-methoxy-3-[(E)-2-methoxy-2-thionitrosoethenyl]benzene

C10H11NO2S — CID 143675514

IUPAC1-methoxy-3-[(E)-2-methoxy-2-thionitrosoethenyl]benzene
SMILESCO/C(=C/c1cccc(OC)c1)N=S
InChIInChI=1S/C10H11NO2S/c1-12-9-5-3-4-8(6-9)7-10(11-14)13-2/h3-7H,1-2H3/b10-7+
InChIKeyYDFKDAGVDLBJGH-JXMROGBWSA-N
MW209.27 g/mol
LogP2.37
Rot. Bonds4

About 1-methoxy-3-[(E)-2-methoxy-2-thionitrosoethenyl]benzene

1-methoxy-3-[(E)-2-methoxy-2-thionitrosoethenyl]benzene (PubChem CID 143675514) has the molecular formula C10H11NO2S and a molecular weight of 209.27 g/mol. Its IUPAC name is 1-methoxy-3-[(E)-2-methoxy-2-thionitrosoethenyl]benzene.

Molecular Properties

Compound Name1-methoxy-3-[(E)-2-methoxy-2-thionitrosoethenyl]benzene
PubChem CID143675514
Molecular FormulaC10H11NO2S
Molecular Weight209.27 g/mol
Exact Mass209.05
IUPAC Name1-methoxy-3-[(E)-2-methoxy-2-thionitrosoethenyl]benzene
SMILESCO/C(=C/c1cccc(OC)c1)N=S
InChIInChI=1S/C10H11NO2S/c1-12-9-5-3-4-8(6-9)7-10(11-14)13-2/h3-7H,1-2H3/b10-7+
InChIKeyYDFKDAGVDLBJGH-JXMROGBWSA-N
XLogP2.37
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

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(Z)-2-amino-3-(3-methoxyphenyl)prop-2-enal
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(E)-2-bromo-3-(3-methoxyphenyl)prop-2-enal
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N-[(E)-(3-methoxyphenyl)methylideneamino]methanamine
CID 110339403
(E)-3-(3-methoxyphenyl)-2-methylprop-2-enamide
CID 5375231
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CID 174348004

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[(E)-2-methoxy-2-thionitrosoethenyl]benzene?
The IUPAC name of 1-methoxy-3-[(E)-2-methoxy-2-thionitrosoethenyl]benzene (CID 143675514) is 1-methoxy-3-[(E)-2-methoxy-2-thionitrosoethenyl]benzene.
What is the SMILES notation for 1-methoxy-3-[(E)-2-methoxy-2-thionitrosoethenyl]benzene?
The canonical SMILES for 1-methoxy-3-[(E)-2-methoxy-2-thionitrosoethenyl]benzene is CO/C(=C/c1cccc(OC)c1)N=S.
What is the InChIKey of 1-methoxy-3-[(E)-2-methoxy-2-thionitrosoethenyl]benzene?
The InChIKey is YDFKDAGVDLBJGH-JXMROGBWSA-N. The full InChI is InChI=1S/C10H11NO2S/c1-12-9-5-3-4-8(6-9)7-10(11-14)13-2/h3-7H,1-2H3/b10-7+.
What are the key properties of 1-methoxy-3-[(E)-2-methoxy-2-thionitrosoethenyl]benzene?
1-methoxy-3-[(E)-2-methoxy-2-thionitrosoethenyl]benzene has a molecular weight of 209.27 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[(E)-2-methoxy-2-thionitrosoethenyl]benzene is sourced from PubChem (CID 143675514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).