(Z)-2-(methylideneamino)-2-(4-methylphenyl)ethenethiol

C10H11NS — CID 143018409

IUPAC(Z)-2-(methylideneamino)-2-(4-methylphenyl)ethenethiol
SMILESC=N/C(=C\S)c1ccc(C)cc1
InChIInChI=1S/C10H11NS/c1-8-3-5-9(6-4-8)10(7-12)11-2/h3-7,12H,2H2,1H3/b10-7-
InChIKeyOGILHWRYNISVGV-YFHOEESVSA-N
MW177.27 g/mol
LogP2.92
Rot. Bonds2

About (Z)-2-(methylideneamino)-2-(4-methylphenyl)ethenethiol

(Z)-2-(methylideneamino)-2-(4-methylphenyl)ethenethiol (PubChem CID 143018409) has the molecular formula C10H11NS and a molecular weight of 177.27 g/mol. Its IUPAC name is (Z)-2-(methylideneamino)-2-(4-methylphenyl)ethenethiol.

Molecular Properties

Compound Name(Z)-2-(methylideneamino)-2-(4-methylphenyl)ethenethiol
PubChem CID143018409
Molecular FormulaC10H11NS
Molecular Weight177.27 g/mol
Exact Mass177.06
IUPAC Name(Z)-2-(methylideneamino)-2-(4-methylphenyl)ethenethiol
SMILESC=N/C(=C\S)c1ccc(C)cc1
InChIInChI=1S/C10H11NS/c1-8-3-5-9(6-4-8)10(7-12)11-2/h3-7,12H,2H2,1H3/b10-7-
InChIKeyOGILHWRYNISVGV-YFHOEESVSA-N
XLogP2.92
TPSA12.36 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-formyl-2-(methylamino)-2-[4-[(Z)-1-(methylideneamino)-2-sulfanylethenyl]phenyl]butanamide
CID 143510397
4-[(2Z,4E,6Z)-7-(4-hydroxy-3,5-dimethylphenyl)-7-(methylideneamino)-5-(4-methylphenyl)hepta-2,4,6-trien-3-yl]-2,6-dimethylphenol
CID 163988255
N-[(1Z,3E)-3-(4-methylphenyl)penta-1,3-dienyl]methanimine
CID 90434181
1,4-bis[1-(4-methylphenyl)ethenyl]benzene;ethane
CID 123373957
1-(4-methylphenyl)buta-2,3-dien-1-one
CID 15525531
1-[(Z)-2-bromo-1-fluoroethenyl]-4-methylbenzene
CID 125477335
1-(4-methylphenyl)prop-1-en-1-ol
CID 67275749
1-methyl-4-prop-1-en-2-ylbenzene
CID 90700010
1-methyl-4-(4-prop-1-en-2-ylphenyl)benzene
CID 20594776
1-[(Z)-but-2-en-2-yl]-4-methylbenzene
CID 58843251
1-but-2-en-2-yl-4-methylbenzene
CID 12583115
1-methyl-4-(1-prop-1-en-2-ylsulfanylprop-1-enyl)benzene
CID 123372265

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(methylideneamino)-2-(4-methylphenyl)ethenethiol?
The IUPAC name of (Z)-2-(methylideneamino)-2-(4-methylphenyl)ethenethiol (CID 143018409) is (Z)-2-(methylideneamino)-2-(4-methylphenyl)ethenethiol.
What is the SMILES notation for (Z)-2-(methylideneamino)-2-(4-methylphenyl)ethenethiol?
The canonical SMILES for (Z)-2-(methylideneamino)-2-(4-methylphenyl)ethenethiol is C=N/C(=C\S)c1ccc(C)cc1.
What is the InChIKey of (Z)-2-(methylideneamino)-2-(4-methylphenyl)ethenethiol?
The InChIKey is OGILHWRYNISVGV-YFHOEESVSA-N. The full InChI is InChI=1S/C10H11NS/c1-8-3-5-9(6-4-8)10(7-12)11-2/h3-7,12H,2H2,1H3/b10-7-.
What are the key properties of (Z)-2-(methylideneamino)-2-(4-methylphenyl)ethenethiol?
(Z)-2-(methylideneamino)-2-(4-methylphenyl)ethenethiol has a molecular weight of 177.27 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(methylideneamino)-2-(4-methylphenyl)ethenethiol is sourced from PubChem (CID 143018409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).