(Z)-1-methoxy-2-phenylethenethiol

C9H10OS — CID 12543362

IUPAC(Z)-1-methoxy-2-phenylethenethiol
SMILESCO/C(S)=C/c1ccccc1
InChIInChI=1S/C9H10OS/c1-10-9(11)7-8-5-3-2-4-6-8/h2-7,11H,1H3/b9-7-
InChIKeyKUWZIAGEEWYWCS-CLFYSBASSA-N
MW166.24 g/mol
LogP2.56
Rot. Bonds2

About (Z)-1-methoxy-2-phenylethenethiol

(Z)-1-methoxy-2-phenylethenethiol (PubChem CID 12543362) has the molecular formula C9H10OS and a molecular weight of 166.24 g/mol. Its IUPAC name is (Z)-1-methoxy-2-phenylethenethiol.

Molecular Properties

Compound Name(Z)-1-methoxy-2-phenylethenethiol
PubChem CID12543362
Molecular FormulaC9H10OS
Molecular Weight166.24 g/mol
Exact Mass166.05
IUPAC Name(Z)-1-methoxy-2-phenylethenethiol
SMILESCO/C(S)=C/c1ccccc1
InChIInChI=1S/C9H10OS/c1-10-9(11)7-8-5-3-2-4-6-8/h2-7,11H,1H3/b9-7-
InChIKeyKUWZIAGEEWYWCS-CLFYSBASSA-N
XLogP2.56
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.24
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze (Z)-1-methoxy-2-phenylethenethiol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-1-(methoxyamino)-2-phenylethenol
CID 10012253
[(Z)-1-methoxy-2-phenylethenyl]-trimethylgermane
CID 134971042
2-methoxy-3-phenylprop-2-enoic acid
CID 7021154
CID 159805914
CID 159805914
europium;tris(2-methoxy-3-phenylprop-2-enoic acid)
CID 169448208
methyl (Z)-3-phenyl-2-(sulfanylmethyl)prop-2-enoate
CID 42598055
(Z)-3-methoxy-4-phenylbut-3-en-1-ol
CID 134985756
2-benzylidene-3-methoxycarbonyl-4-phenylbut-3-enoic acid
CID 4736767
(Z)-3-phenyl-2-sulfanylprop-2-enoic acid
CID 5396334
N-(1-phenylprop-1-en-2-yl)hydroxylamine
CID 174837746
(E)-1-dimethoxyphosphoryl-2-phenylethenol
CID 14736137
dimethyl 2-benzylidenebutanedioate
CID 4688794

Frequently Asked Questions

What is the IUPAC name of (Z)-1-methoxy-2-phenylethenethiol?
The IUPAC name of (Z)-1-methoxy-2-phenylethenethiol (CID 12543362) is (Z)-1-methoxy-2-phenylethenethiol.
What is the SMILES notation for (Z)-1-methoxy-2-phenylethenethiol?
The canonical SMILES for (Z)-1-methoxy-2-phenylethenethiol is CO/C(S)=C/c1ccccc1.
What is the InChIKey of (Z)-1-methoxy-2-phenylethenethiol?
The InChIKey is KUWZIAGEEWYWCS-CLFYSBASSA-N. The full InChI is InChI=1S/C9H10OS/c1-10-9(11)7-8-5-3-2-4-6-8/h2-7,11H,1H3/b9-7-.
What are the key properties of (Z)-1-methoxy-2-phenylethenethiol?
(Z)-1-methoxy-2-phenylethenethiol has a molecular weight of 166.24 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-methoxy-2-phenylethenethiol is sourced from PubChem (CID 12543362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).