benzhydryl-methylsulfanyl-sulfanylidenephosphanium

C14H14PS2+ — CID 70879703

IUPACbenzhydryl-methylsulfanyl-sulfanylidenephosphanium
SMILESCS[P+](=S)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H14PS2/c1-17-15(16)14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11,14H,1H3/q+1
InChIKeyCIVSHLAUINBRKY-UHFFFAOYSA-N
MW277.37 g/mol
LogP5.00
Rot. Bonds4

About benzhydryl-methylsulfanyl-sulfanylidenephosphanium

benzhydryl-methylsulfanyl-sulfanylidenephosphanium (PubChem CID 70879703) has the molecular formula C14H14PS2+ and a molecular weight of 277.37 g/mol. Its IUPAC name is benzhydryl-methylsulfanyl-sulfanylidenephosphanium.

Molecular Properties

Compound Namebenzhydryl-methylsulfanyl-sulfanylidenephosphanium
PubChem CID70879703
Molecular FormulaC14H14PS2+
Molecular Weight277.37 g/mol
Exact Mass277.03
IUPAC Namebenzhydryl-methylsulfanyl-sulfanylidenephosphanium
SMILESCS[P+](=S)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H14PS2/c1-17-15(16)14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11,14H,1H3/q+1
InChIKeyCIVSHLAUINBRKY-UHFFFAOYSA-N
XLogP5.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-1-phenylethyl)sulfanyl-2-phenylethanamine;hydrochloride
CID 23620363
2-(2-amino-1-phenylethyl)sulfanyl-2-phenylethanamine
CID 23620364
benzhydryl-chloro-oxophosphanium
CID 174729977
methyl-phenyl-sulfanylidenephosphanium
CID 59983199
1-bromoethylbenzene
CID 11454
1-phenylethylbenzene
CID 11918
benzene;cumene
CID 157215889
1-phenylethylbenzene
CID 142851428
cumene
CID 161227923
propan-2-ylcyclodecapentaene
CID 123508933
[(1R)-1-[[(1R)-1-phenylethyl]disulfanyl]ethyl]benzene
CID 12525253
lutetium;1-phenylethylphosphane
CID 87744905

Frequently Asked Questions

What is the IUPAC name of benzhydryl-methylsulfanyl-sulfanylidenephosphanium?
The IUPAC name of benzhydryl-methylsulfanyl-sulfanylidenephosphanium (CID 70879703) is benzhydryl-methylsulfanyl-sulfanylidenephosphanium.
What is the SMILES notation for benzhydryl-methylsulfanyl-sulfanylidenephosphanium?
The canonical SMILES for benzhydryl-methylsulfanyl-sulfanylidenephosphanium is CS[P+](=S)C(c1ccccc1)c1ccccc1.
What is the InChIKey of benzhydryl-methylsulfanyl-sulfanylidenephosphanium?
The InChIKey is CIVSHLAUINBRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14PS2/c1-17-15(16)14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11,14H,1H3/q+1.
What are the key properties of benzhydryl-methylsulfanyl-sulfanylidenephosphanium?
benzhydryl-methylsulfanyl-sulfanylidenephosphanium has a molecular weight of 277.37 g/mol, XLogP of 5.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydryl-methylsulfanyl-sulfanylidenephosphanium is sourced from PubChem (CID 70879703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).