1,3-dimethyl-2-[(Z)-C-methyl-N-[(4-methylphenyl)sulfanylamino]carbonimidoyl]benzene

C17H20N2S — CID 170607608

IUPAC1,3-dimethyl-2-[(Z)-C-methyl-N-[(4-methylphenyl)sulfanylamino]carbonimidoyl]benzene
SMILESC/C(=N/NSc1ccc(C)cc1)c1c(C)cccc1C
InChIInChI=1S/C17H20N2S/c1-12-8-10-16(11-9-12)20-19-18-15(4)17-13(2)6-5-7-14(17)3/h5-11,19H,1-4H3/b18-15-
InChIKeyRKXBWTNCDYVSKO-SDXDJHTJSA-N
MW284.43 g/mol
LogP4.63
Rot. Bonds4

About 1,3-dimethyl-2-[(Z)-C-methyl-N-[(4-methylphenyl)sulfanylamino]carbonimidoyl]benzene

1,3-dimethyl-2-[(Z)-C-methyl-N-[(4-methylphenyl)sulfanylamino]carbonimidoyl]benzene (PubChem CID 170607608) has the molecular formula C17H20N2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 1,3-dimethyl-2-[(Z)-C-methyl-N-[(4-methylphenyl)sulfanylamino]carbonimidoyl]benzene.

Molecular Properties

Compound Name1,3-dimethyl-2-[(Z)-C-methyl-N-[(4-methylphenyl)sulfanylamino]carbonimidoyl]benzene
PubChem CID170607608
Molecular FormulaC17H20N2S
Molecular Weight284.43 g/mol
Exact Mass284.13
IUPAC Name1,3-dimethyl-2-[(Z)-C-methyl-N-[(4-methylphenyl)sulfanylamino]carbonimidoyl]benzene
SMILESC/C(=N/NSc1ccc(C)cc1)c1c(C)cccc1C
InChIInChI=1S/C17H20N2S/c1-12-8-10-16(11-9-12)20-19-18-15(4)17-13(2)6-5-7-14(17)3/h5-11,19H,1-4H3/b18-15-
InChIKeyRKXBWTNCDYVSKO-SDXDJHTJSA-N
XLogP4.63
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-chloro-3-methyl-2-[(E)-C-methyl-N-[(4-methylphenyl)sulfanylamino]carbonimidoyl]benzene
CID 170608084
1-methyl-2-[(Z)-C-methyl-N-[(4-methylphenyl)sulfanylamino]carbonimidoyl]-3-propan-2-ylbenzene
CID 176557198
N-[(E)-1-(2-ethyl-6-methylphenyl)ethylideneamino]-4-methylbenzenesulfinamide
CID 170607634
(NE)-N-[1-(2,6-dimethylphenyl)ethylidene]thiohydroxylamine
CID 169233004
N-[(Z)-1-(2-chloro-6-methylphenyl)ethylideneamino]-4-methylbenzenesulfinamide;ethane;propane
CID 170607588
(4Z)-4-[(4-methylphenyl)sulfanylhydrazinylidene]oxepane
CID 177183086
2-ethanehydrazonoyl-3-methylphenol
CID 137274305
1,2-bis[(4-methylphenyl)sulfanyl]ethene-1,2-dithiol
CID 76564021
2,6-dimethylbenzenecarbothioic S-acid
CID 91881639
(1E)-2,6-dimethyl-N-(4-methylphenyl)sulfinylbenzenecarbohydrazonoyl chloride;ethane;pentane
CID 176557337
methyl 2-[(4-methylphenyl)sulfanylamino]acetate;1,1,1-trichloroethane
CID 88672837
4-methyl-N-[1-(2-methylphenyl)ethylideneamino]benzenesulfonamide
CID 141470988

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2-[(Z)-C-methyl-N-[(4-methylphenyl)sulfanylamino]carbonimidoyl]benzene?
The IUPAC name of 1,3-dimethyl-2-[(Z)-C-methyl-N-[(4-methylphenyl)sulfanylamino]carbonimidoyl]benzene (CID 170607608) is 1,3-dimethyl-2-[(Z)-C-methyl-N-[(4-methylphenyl)sulfanylamino]carbonimidoyl]benzene.
What is the SMILES notation for 1,3-dimethyl-2-[(Z)-C-methyl-N-[(4-methylphenyl)sulfanylamino]carbonimidoyl]benzene?
The canonical SMILES for 1,3-dimethyl-2-[(Z)-C-methyl-N-[(4-methylphenyl)sulfanylamino]carbonimidoyl]benzene is C/C(=N/NSc1ccc(C)cc1)c1c(C)cccc1C.
What is the InChIKey of 1,3-dimethyl-2-[(Z)-C-methyl-N-[(4-methylphenyl)sulfanylamino]carbonimidoyl]benzene?
The InChIKey is RKXBWTNCDYVSKO-SDXDJHTJSA-N. The full InChI is InChI=1S/C17H20N2S/c1-12-8-10-16(11-9-12)20-19-18-15(4)17-13(2)6-5-7-14(17)3/h5-11,19H,1-4H3/b18-15-.
What are the key properties of 1,3-dimethyl-2-[(Z)-C-methyl-N-[(4-methylphenyl)sulfanylamino]carbonimidoyl]benzene?
1,3-dimethyl-2-[(Z)-C-methyl-N-[(4-methylphenyl)sulfanylamino]carbonimidoyl]benzene has a molecular weight of 284.43 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2-[(Z)-C-methyl-N-[(4-methylphenyl)sulfanylamino]carbonimidoyl]benzene is sourced from PubChem (CID 170607608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).