dimethyl-[1-[[methylsulfanyl(phenyl)methylidene]amino]ethylidene]azanium iodide

C12H17IN2S — CID 10958983

IUPACdimethyl-[1-[[methylsulfanyl(phenyl)methylidene]amino]ethylidene]azanium iodide
SMILESCS/C(=N\C(C)=[N+](C)C)c1ccccc1.[I-]
InChIInChI=1S/C12H17N2S.HI/c1-10(14(2)3)13-12(15-4)11-8-6-5-7-9-11;/h5-9H,1-4H3;1H/q+1;/p-1
InChIKeyZXWMVSHDNSJAKV-UHFFFAOYSA-M
MW348.25 g/mol
LogP-0.51
Rot. Bonds1

About dimethyl-[1-[[methylsulfanyl(phenyl)methylidene]amino]ethylidene]azanium iodide

dimethyl-[1-[[methylsulfanyl(phenyl)methylidene]amino]ethylidene]azanium iodide (PubChem CID 10958983) has the molecular formula C12H17IN2S and a molecular weight of 348.25 g/mol. Its IUPAC name is dimethyl-[1-[[methylsulfanyl(phenyl)methylidene]amino]ethylidene]azanium iodide.

Molecular Properties

Compound Namedimethyl-[1-[[methylsulfanyl(phenyl)methylidene]amino]ethylidene]azanium iodide
PubChem CID10958983
Molecular FormulaC12H17IN2S
Molecular Weight348.25 g/mol
Exact Mass348.02
IUPAC Namedimethyl-[1-[[methylsulfanyl(phenyl)methylidene]amino]ethylidene]azanium iodide
SMILESCS/C(=N\C(C)=[N+](C)C)c1ccccc1.[I-]
InChIInChI=1S/C12H17N2S.HI/c1-10(14(2)3)13-12(15-4)11-8-6-5-7-9-11;/h5-9H,1-4H3;1H/q+1;/p-1
InChIKeyZXWMVSHDNSJAKV-UHFFFAOYSA-M
XLogP-0.51
TPSA15.37 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.25
LogP ≤ 5-0.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

Thiazolium, 4,5-dihydro-3-methyl-2-phenyl-, iodide
CID 213651
Thiazolium, 4,5-dihydro-3-methyl-2-(4-methylphenyl)-, iodide
CID 13425519
3-Ethyl-2-phenyl-4,5-dihydro-1,3-thiazol-3-ium iodide
CID 13425531
Benzenecarboximidothioic acid, N-methyl-, methyl ester
CID 521011
Methyl((methylsulfanyl)(phenyl)methylidene)amine hydroiodide
CID 12382360
N-methyl-1-methylsulfanyl-1-phenylmethanimine oxide;hydroiodide
CID 5466974
Dimethyl-[methylsulfanyl(phenyl)methylidene]azanium iodide
CID 12382361
Methyl N-cyanobenzenecarboximidothioate
CID 13595326
Dimethyl-[1-[[methylselanyl(phenyl)methylidene]amino]ethylidene]azanium iodide
CID 15896430
methyl N-methyl-2-phenylbuta-2,3-dienimidothioate
CID 101106333
N,N-dimethyl-3-methylsulfanyl-3-phenylprop-2-en-1-iminium iodide
CID 129741950
(Z)-dimethylamino-methyl-[methylsulfanyl(phenyl)methylidene]azanium iodide
CID 134874702

Frequently Asked Questions

What is the IUPAC name of dimethyl-[1-[[methylsulfanyl(phenyl)methylidene]amino]ethylidene]azanium iodide?
The IUPAC name of dimethyl-[1-[[methylsulfanyl(phenyl)methylidene]amino]ethylidene]azanium iodide (CID 10958983) is dimethyl-[1-[[methylsulfanyl(phenyl)methylidene]amino]ethylidene]azanium iodide.
What is the SMILES notation for dimethyl-[1-[[methylsulfanyl(phenyl)methylidene]amino]ethylidene]azanium iodide?
The canonical SMILES for dimethyl-[1-[[methylsulfanyl(phenyl)methylidene]amino]ethylidene]azanium iodide is CS/C(=N\C(C)=[N+](C)C)c1ccccc1.[I-].
What is the InChIKey of dimethyl-[1-[[methylsulfanyl(phenyl)methylidene]amino]ethylidene]azanium iodide?
The InChIKey is ZXWMVSHDNSJAKV-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H17N2S.HI/c1-10(14(2)3)13-12(15-4)11-8-6-5-7-9-11;/h5-9H,1-4H3;1H/q+1;/p-1.
What are the key properties of dimethyl-[1-[[methylsulfanyl(phenyl)methylidene]amino]ethylidene]azanium iodide?
dimethyl-[1-[[methylsulfanyl(phenyl)methylidene]amino]ethylidene]azanium iodide has a molecular weight of 348.25 g/mol, XLogP of -0.51, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[1-[[methylsulfanyl(phenyl)methylidene]amino]ethylidene]azanium iodide is sourced from PubChem (CID 10958983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).