[(Z)-2-(4-methylphenyl)sulfonyl-2-phenylethenyl] N,N-dimethylcarbamodithioate

C18H19NO2S3 — CID 10595768

IUPAC[(Z)-2-(4-methylphenyl)sulfonyl-2-phenylethenyl] N,N-dimethylcarbamodithioate
SMILESCc1ccc(S(=O)(=O)/C(=C\SC(=S)N(C)C)c2ccccc2)cc1
InChIInChI=1S/C18H19NO2S3/c1-14-9-11-16(12-10-14)24(20,21)17(13-23-18(22)19(2)3)15-7-5-4-6-8-15/h4-13H,1-3H3/b17-13-
InChIKeyFOJPHFPXJMPSPN-LGMDPLHJSA-N
MW377.56 g/mol
LogP4.35
Rot. Bonds4

About [(Z)-2-(4-methylphenyl)sulfonyl-2-phenylethenyl] N,N-dimethylcarbamodithioate

[(Z)-2-(4-methylphenyl)sulfonyl-2-phenylethenyl] N,N-dimethylcarbamodithioate (PubChem CID 10595768) has the molecular formula C18H19NO2S3 and a molecular weight of 377.56 g/mol. Its IUPAC name is [(Z)-2-(4-methylphenyl)sulfonyl-2-phenylethenyl] N,N-dimethylcarbamodithioate.

Molecular Properties

Compound Name[(Z)-2-(4-methylphenyl)sulfonyl-2-phenylethenyl] N,N-dimethylcarbamodithioate
PubChem CID10595768
Molecular FormulaC18H19NO2S3
Molecular Weight377.56 g/mol
Exact Mass377.06
IUPAC Name[(Z)-2-(4-methylphenyl)sulfonyl-2-phenylethenyl] N,N-dimethylcarbamodithioate
SMILESCc1ccc(S(=O)(=O)/C(=C\SC(=S)N(C)C)c2ccccc2)cc1
InChIInChI=1S/C18H19NO2S3/c1-14-9-11-16(12-10-14)24(20,21)17(13-23-18(22)19(2)3)15-7-5-4-6-8-15/h4-13H,1-3H3/b17-13-
InChIKeyFOJPHFPXJMPSPN-LGMDPLHJSA-N
XLogP4.35
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.56
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-[(Z)-1-phenyl-2-phenylselanylethenyl]sulfonylbenzene
CID 134936070
1-methyl-4-[(Z)-2-(4-methylphenyl)sulfonyl-1-phenylethenyl]benzene
CID 102129637
[(E)-2-(benzenesulfonyl)-2-phenylethenyl]sulfanylmethylbenzene
CID 162397297
N-methyl-N-(4-methylphenyl)sulfonyl-N'-[(E)-1-phenylethylideneamino]methanimidamide
CID 12577971
1,2-dimethoxy-4-[(E)-2-(4-methylphenyl)sulfanyl-1-(4-methylphenyl)sulfonylethenyl]benzene
CID 162397303
(E)-N-methyl-2-(4-methylphenyl)sulfonyl-1-phenylethenamine
CID 24972823
phenyl N,N-dimethylcarbamodithioate
CID 11063386
N-[(E)-2-chloro-1-(4-methylphenyl)sulfonylethenyl]benzamide
CID 2134372
1-(1-chloro-2-phenylethenyl)sulfonyl-4-methylbenzene
CID 819514
1-methyl-4-[(Z)-2-phenyl-2-phenyltellanylethenyl]sulfonylbenzene
CID 10671713
N'-(4-methylphenyl)sulfonyl-N-[4-[(E)-N-(4-methylphenyl)sulfonyl-C-phenylcarbonimidoyl]iminocyclohexa-2,5-dien-1-ylidene]benzenecarboximidamide
CID 75408906
(E)-3-(dimethylamino)-2-(4-methylphenyl)sulfonylprop-2-enenitrile
CID 97032798

Frequently Asked Questions

What is the IUPAC name of [(Z)-2-(4-methylphenyl)sulfonyl-2-phenylethenyl] N,N-dimethylcarbamodithioate?
The IUPAC name of [(Z)-2-(4-methylphenyl)sulfonyl-2-phenylethenyl] N,N-dimethylcarbamodithioate (CID 10595768) is [(Z)-2-(4-methylphenyl)sulfonyl-2-phenylethenyl] N,N-dimethylcarbamodithioate.
What is the SMILES notation for [(Z)-2-(4-methylphenyl)sulfonyl-2-phenylethenyl] N,N-dimethylcarbamodithioate?
The canonical SMILES for [(Z)-2-(4-methylphenyl)sulfonyl-2-phenylethenyl] N,N-dimethylcarbamodithioate is Cc1ccc(S(=O)(=O)/C(=C\SC(=S)N(C)C)c2ccccc2)cc1.
What is the InChIKey of [(Z)-2-(4-methylphenyl)sulfonyl-2-phenylethenyl] N,N-dimethylcarbamodithioate?
The InChIKey is FOJPHFPXJMPSPN-LGMDPLHJSA-N. The full InChI is InChI=1S/C18H19NO2S3/c1-14-9-11-16(12-10-14)24(20,21)17(13-23-18(22)19(2)3)15-7-5-4-6-8-15/h4-13H,1-3H3/b17-13-.
What are the key properties of [(Z)-2-(4-methylphenyl)sulfonyl-2-phenylethenyl] N,N-dimethylcarbamodithioate?
[(Z)-2-(4-methylphenyl)sulfonyl-2-phenylethenyl] N,N-dimethylcarbamodithioate has a molecular weight of 377.56 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-(4-methylphenyl)sulfonyl-2-phenylethenyl] N,N-dimethylcarbamodithioate is sourced from PubChem (CID 10595768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).