trimethyl-[(Z)-2-phenylsulfanylethenyl]azanium

C11H16NS+ — CID 23266469

IUPACtrimethyl-[(Z)-2-phenylsulfanylethenyl]azanium
SMILESC[N+](C)(C)/C=C\Sc1ccccc1
InChIInChI=1S/C11H16NS/c1-12(2,3)9-10-13-11-7-5-4-6-8-11/h4-10H,1-3H3/q+1/b10-9-
InChIKeyDZDHQOGDTCQYIH-KTKRTIGZSA-N
MW194.32 g/mol
LogP2.96
Rot. Bonds3

About trimethyl-[(Z)-2-phenylsulfanylethenyl]azanium

trimethyl-[(Z)-2-phenylsulfanylethenyl]azanium (PubChem CID 23266469) has the molecular formula C11H16NS+ and a molecular weight of 194.32 g/mol. Its IUPAC name is trimethyl-[(Z)-2-phenylsulfanylethenyl]azanium.

Molecular Properties

Compound Nametrimethyl-[(Z)-2-phenylsulfanylethenyl]azanium
PubChem CID23266469
Molecular FormulaC11H16NS+
Molecular Weight194.32 g/mol
Exact Mass194.10
IUPAC Nametrimethyl-[(Z)-2-phenylsulfanylethenyl]azanium
SMILESC[N+](C)(C)/C=C\Sc1ccccc1
InChIInChI=1S/C11H16NS/c1-12(2,3)9-10-13-11-7-5-4-6-8-11/h4-10H,1-3H3/q+1/b10-9-
InChIKeyDZDHQOGDTCQYIH-KTKRTIGZSA-N
XLogP2.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-4-phenylsulfanylbutan-1-amine
CID 12272159
4-(benzenesulfinyl)-N,N-dimethylbutan-1-amine
CID 73357242
N,N-dimethyl-2-(phenylsulfinyl)ethanamine
CID 778848
Allylamine, N,N-dimethyl-3-(phenylthio)-
CID 6434752
2-Butene, 1,4-bis(dimethylamino)-2-(phenylthio)-
CID 6434822
1-methyl-4-phenylsulfanyl-3,6-dihydro-2H-pyridine
CID 10465560
N,N-Dimethyl-1-(phenylsulfanyl)methanamine
CID 225978
n,n-Diethyl-2-(phenylsulfinyl)ethanamine
CID 880114
Phenyl diethylcarbamodithioate
CID 13816614
N,N-diethylaminomethyl 4-fluorophenyl sulfide
CID 12261872
N-Methyl-2-(phenylsulfanyl)-N-[2-(phenylsulfanyl)ethyl]ethan-1-amine
CID 15238574
3-Ethyl-1-methyl-4-phenylsulfanyl-1,4,5,6-tetrahydro-pyridine
CID 12581461

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(Z)-2-phenylsulfanylethenyl]azanium?
The IUPAC name of trimethyl-[(Z)-2-phenylsulfanylethenyl]azanium (CID 23266469) is trimethyl-[(Z)-2-phenylsulfanylethenyl]azanium.
What is the SMILES notation for trimethyl-[(Z)-2-phenylsulfanylethenyl]azanium?
The canonical SMILES for trimethyl-[(Z)-2-phenylsulfanylethenyl]azanium is C[N+](C)(C)/C=C\Sc1ccccc1.
What is the InChIKey of trimethyl-[(Z)-2-phenylsulfanylethenyl]azanium?
The InChIKey is DZDHQOGDTCQYIH-KTKRTIGZSA-N. The full InChI is InChI=1S/C11H16NS/c1-12(2,3)9-10-13-11-7-5-4-6-8-11/h4-10H,1-3H3/q+1/b10-9-.
What are the key properties of trimethyl-[(Z)-2-phenylsulfanylethenyl]azanium?
trimethyl-[(Z)-2-phenylsulfanylethenyl]azanium has a molecular weight of 194.32 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(Z)-2-phenylsulfanylethenyl]azanium is sourced from PubChem (CID 23266469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).