[(E)-2-(dimethylamino)ethenyl]-ethyl-methylsulfanium

C7H16NS+ — CID 12635180

IUPAC[(E)-2-(dimethylamino)ethenyl]-ethyl-methylsulfanium
SMILESCC[S+](C)/C=C/N(C)C
InChIInChI=1S/C7H16NS/c1-5-9(4)7-6-8(2)3/h6-7H,5H2,1-4H3/q+1/b7-6+
InChIKeyZZEKTQPQALOEPT-VOTSOKGWSA-N
MW146.28 g/mol
LogP1.29
Rot. Bonds3

About [(E)-2-(dimethylamino)ethenyl]-ethyl-methylsulfanium

[(E)-2-(dimethylamino)ethenyl]-ethyl-methylsulfanium (PubChem CID 12635180) has the molecular formula C7H16NS+ and a molecular weight of 146.28 g/mol. Its IUPAC name is [(E)-2-(dimethylamino)ethenyl]-ethyl-methylsulfanium.

Molecular Properties

Compound Name[(E)-2-(dimethylamino)ethenyl]-ethyl-methylsulfanium
PubChem CID12635180
Molecular FormulaC7H16NS+
Molecular Weight146.28 g/mol
Exact Mass146.10
IUPAC Name[(E)-2-(dimethylamino)ethenyl]-ethyl-methylsulfanium
SMILESCC[S+](C)/C=C/N(C)C
InChIInChI=1S/C7H16NS/c1-5-9(4)7-6-8(2)3/h6-7H,5H2,1-4H3/q+1/b7-6+
InChIKeyZZEKTQPQALOEPT-VOTSOKGWSA-N
XLogP1.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.28
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(E)-2-(dimethylamino)ethenyl]-ethyl-methylsulfanium tetrafluoroborate
CID 12635179
N,N-Dimethyl-3-(methylsulfanyl)prop-1-en-1-amine
CID 71325923
3-Methyl-1,2-didehydro-1,3-thiazole
CID 101146457
Xemljnlycnpyiu-aatrikpksa-
CID 23264363
Ethanamine, 2-(ethenylthio)-N,N-dimethyl-
CID 4652887
3-ethyl-2H-1,3-thiazole
CID 18381193
3-ethyl-2-methyl-2H-1,3-thiazole
CID 19366383
4-Methyl-2,3-dihydro-1,4-thiazine
CID 20497619
4-Methyl-1,4-thiazine
CID 21356955
2,3-dimethyl-2H-1,3-thiazole
CID 23182463
3-Ethyl-2-methylidene-1,3-thiazole
CID 53650336
2-[2-(diethylamino)ethenylsulfanyl]-N,N-diethylethenamine
CID 57259403

Frequently Asked Questions

What is the IUPAC name of [(E)-2-(dimethylamino)ethenyl]-ethyl-methylsulfanium?
The IUPAC name of [(E)-2-(dimethylamino)ethenyl]-ethyl-methylsulfanium (CID 12635180) is [(E)-2-(dimethylamino)ethenyl]-ethyl-methylsulfanium.
What is the SMILES notation for [(E)-2-(dimethylamino)ethenyl]-ethyl-methylsulfanium?
The canonical SMILES for [(E)-2-(dimethylamino)ethenyl]-ethyl-methylsulfanium is CC[S+](C)/C=C/N(C)C.
What is the InChIKey of [(E)-2-(dimethylamino)ethenyl]-ethyl-methylsulfanium?
The InChIKey is ZZEKTQPQALOEPT-VOTSOKGWSA-N. The full InChI is InChI=1S/C7H16NS/c1-5-9(4)7-6-8(2)3/h6-7H,5H2,1-4H3/q+1/b7-6+.
What are the key properties of [(E)-2-(dimethylamino)ethenyl]-ethyl-methylsulfanium?
[(E)-2-(dimethylamino)ethenyl]-ethyl-methylsulfanium has a molecular weight of 146.28 g/mol, XLogP of 1.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-(dimethylamino)ethenyl]-ethyl-methylsulfanium is sourced from PubChem (CID 12635180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).