1,1-diphenyldecylsulfanyl-bis(sulfanyl)phosphane

C22H31PS3 — CID 54059108

IUPAC1,1-diphenyldecylsulfanyl-bis(sulfanyl)phosphane
SMILESCCCCCCCCCC(SP(S)S)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H31PS3/c1-2-3-4-5-6-7-14-19-22(26-23(24)25,20-15-10-8-11-16-20)21-17-12-9-13-18-21/h8-13,15-18,24-25H,2-7,14,19H2,1H3
InChIKeyLYJMQRDJUPMLPE-UHFFFAOYSA-N
MW422.67 g/mol
LogP8.89
Rot. Bonds12

About 1,1-diphenyldecylsulfanyl-bis(sulfanyl)phosphane

1,1-diphenyldecylsulfanyl-bis(sulfanyl)phosphane (PubChem CID 54059108) has the molecular formula C22H31PS3 and a molecular weight of 422.67 g/mol. Its IUPAC name is 1,1-diphenyldecylsulfanyl-bis(sulfanyl)phosphane.

Molecular Properties

Compound Name1,1-diphenyldecylsulfanyl-bis(sulfanyl)phosphane
PubChem CID54059108
Molecular FormulaC22H31PS3
Molecular Weight422.67 g/mol
Exact Mass422.13
IUPAC Name1,1-diphenyldecylsulfanyl-bis(sulfanyl)phosphane
SMILESCCCCCCCCCC(SP(S)S)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H31PS3/c1-2-3-4-5-6-7-14-19-22(26-23(24)25,20-15-10-8-11-16-20)21-17-12-9-13-18-21/h8-13,15-18,24-25H,2-7,14,19H2,1H3
InChIKeyLYJMQRDJUPMLPE-UHFFFAOYSA-N
XLogP8.89
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.67
LogP ≤ 58.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 1,1-diphenyldecylsulfanyl-bis(sulfanyl)phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

15-phenylnonacosan-15-ylbenzene
CID 141310981
1,1-diphenyldodecan-1-amine
CID 19925745
5-butylhexadecan-5-ylbenzene
CID 173084700
1,1-diphenylhexoxy-bis(sulfanyl)phosphane
CID 54190731
1,1-difluoroheptylbenzene
CID 12070547
1,1,1-triphenyl-2-sulfanylheptan-2-ol
CID 129116461
1,1-diphenylhexan-1-amine
CID 20568221
2-phenyldecan-2-amine
CID 63408050
5-phenyltetradecan-5-ol
CID 175223116
5-phenylundecan-5-ol
CID 175525363
7-(7-phenyltridecan-7-ylperoxy)tridecan-7-ylbenzene
CID 154126549
tert-butylbenzene;hexane
CID 175254424

Frequently Asked Questions

What is the IUPAC name of 1,1-diphenyldecylsulfanyl-bis(sulfanyl)phosphane?
The IUPAC name of 1,1-diphenyldecylsulfanyl-bis(sulfanyl)phosphane (CID 54059108) is 1,1-diphenyldecylsulfanyl-bis(sulfanyl)phosphane.
What is the SMILES notation for 1,1-diphenyldecylsulfanyl-bis(sulfanyl)phosphane?
The canonical SMILES for 1,1-diphenyldecylsulfanyl-bis(sulfanyl)phosphane is CCCCCCCCCC(SP(S)S)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1,1-diphenyldecylsulfanyl-bis(sulfanyl)phosphane?
The InChIKey is LYJMQRDJUPMLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31PS3/c1-2-3-4-5-6-7-14-19-22(26-23(24)25,20-15-10-8-11-16-20)21-17-12-9-13-18-21/h8-13,15-18,24-25H,2-7,14,19H2,1H3.
What are the key properties of 1,1-diphenyldecylsulfanyl-bis(sulfanyl)phosphane?
1,1-diphenyldecylsulfanyl-bis(sulfanyl)phosphane has a molecular weight of 422.67 g/mol, XLogP of 8.89, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diphenyldecylsulfanyl-bis(sulfanyl)phosphane is sourced from PubChem (CID 54059108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).