benzene;methyl(diphenyl)sulfanium;(Z)-prop-1-en-1-amine

C22H26NS+ — CID 144560903

IUPACbenzene;methyl(diphenyl)sulfanium;(Z)-prop-1-en-1-amine
SMILESC/C=C\N.C[S+](c1ccccc1)c1ccccc1.c1ccccc1
InChIInChI=1S/C13H13S.C6H6.C3H7N/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-2-4-6-5-3-1;1-2-3-4/h2-11H,1H3;1-6H;2-3H,4H2,1H3/q+1;;/b;;3-2-
InChIKeyMATYXBMDDGIPAX-ZDEJHZIXSA-N
MW336.52 g/mol
LogP5.52
Rot. Bonds2

About benzene;methyl(diphenyl)sulfanium;(Z)-prop-1-en-1-amine

benzene;methyl(diphenyl)sulfanium;(Z)-prop-1-en-1-amine (PubChem CID 144560903) has the molecular formula C22H26NS+ and a molecular weight of 336.52 g/mol. Its IUPAC name is benzene;methyl(diphenyl)sulfanium;(Z)-prop-1-en-1-amine.

Molecular Properties

Compound Namebenzene;methyl(diphenyl)sulfanium;(Z)-prop-1-en-1-amine
PubChem CID144560903
Molecular FormulaC22H26NS+
Molecular Weight336.52 g/mol
Exact Mass336.18
IUPAC Namebenzene;methyl(diphenyl)sulfanium;(Z)-prop-1-en-1-amine
SMILESC/C=C\N.C[S+](c1ccccc1)c1ccccc1.c1ccccc1
InChIInChI=1S/C13H13S.C6H6.C3H7N/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-2-4-6-5-3-1;1-2-3-4/h2-11H,1H3;1-6H;2-3H,4H2,1H3/q+1;;/b;;3-2-
InChIKeyMATYXBMDDGIPAX-ZDEJHZIXSA-N
XLogP5.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.52
LogP ≤ 55.52
H-Bond Donors ≤ 51
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

(3Z)-hexa-1,3,5-triene;methyl(diphenyl)sulfanium
CID 144703772
methyl-(4-methylsulfinylphenyl)-phenylsulfanium
CID 16695717
azane;prop-1-en-1-amine
CID 174584190
benzene;1,1'-biphenyl;(E)-but-2-ene;ethane
CID 161147131
methyl-phenyl-(2,3,4,5-tetramethylphenyl)sulfanium
CID 86723347
prop-1-enylbenzene;trimethylazanium;bromide
CID 69252782
ethane;[(Z)-prop-1-enyl]benzene
CID 90831801
(E)-2-phenylethenamine;silane
CID 173101301
CID 157355117
CID 157355117
2-phenylethenamine;hydrobromide
CID 175408568
CID 91158460
CID 91158460
tris(amino(diphenyl)sulfanium);trifluoride
CID 173182070

Frequently Asked Questions

What is the IUPAC name of benzene;methyl(diphenyl)sulfanium;(Z)-prop-1-en-1-amine?
The IUPAC name of benzene;methyl(diphenyl)sulfanium;(Z)-prop-1-en-1-amine (CID 144560903) is benzene;methyl(diphenyl)sulfanium;(Z)-prop-1-en-1-amine.
What is the SMILES notation for benzene;methyl(diphenyl)sulfanium;(Z)-prop-1-en-1-amine?
The canonical SMILES for benzene;methyl(diphenyl)sulfanium;(Z)-prop-1-en-1-amine is C/C=C\N.C[S+](c1ccccc1)c1ccccc1.c1ccccc1.
What is the InChIKey of benzene;methyl(diphenyl)sulfanium;(Z)-prop-1-en-1-amine?
The InChIKey is MATYXBMDDGIPAX-ZDEJHZIXSA-N. The full InChI is InChI=1S/C13H13S.C6H6.C3H7N/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-2-4-6-5-3-1;1-2-3-4/h2-11H,1H3;1-6H;2-3H,4H2,1H3/q+1;;/b;;3-2-.
What are the key properties of benzene;methyl(diphenyl)sulfanium;(Z)-prop-1-en-1-amine?
benzene;methyl(diphenyl)sulfanium;(Z)-prop-1-en-1-amine has a molecular weight of 336.52 g/mol, XLogP of 5.52, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;methyl(diphenyl)sulfanium;(Z)-prop-1-en-1-amine is sourced from PubChem (CID 144560903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).