(4,5-diphenyl-1,3-thiazol-2-yl)sulfanyl-diethoxy-sulfanylidene-lambda5-phosphane

C19H20NO2PS3 — CID 14148636

IUPAC(4,5-diphenyl-1,3-thiazol-2-yl)sulfanyl-diethoxy-sulfanylidene-lambda5-phosphane
SMILESCCOP(=S)(OCC)Sc1nc(-c2ccccc2)c(-c2ccccc2)s1
InChIInChI=1S/C19H20NO2PS3/c1-3-21-23(24,22-4-2)26-19-20-17(15-11-7-5-8-12-15)18(25-19)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3
InChIKeyFOMQQSUHVJTMHB-UHFFFAOYSA-N
MW421.55 g/mol
LogP6.87
Rot. Bonds8

About (4,5-diphenyl-1,3-thiazol-2-yl)sulfanyl-diethoxy-sulfanylidene-lambda5-phosphane

(4,5-diphenyl-1,3-thiazol-2-yl)sulfanyl-diethoxy-sulfanylidene-lambda5-phosphane (PubChem CID 14148636) has the molecular formula C19H20NO2PS3 and a molecular weight of 421.55 g/mol. Its IUPAC name is (4,5-diphenyl-1,3-thiazol-2-yl)sulfanyl-diethoxy-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Name(4,5-diphenyl-1,3-thiazol-2-yl)sulfanyl-diethoxy-sulfanylidene-lambda5-phosphane
PubChem CID14148636
Molecular FormulaC19H20NO2PS3
Molecular Weight421.55 g/mol
Exact Mass421.04
IUPAC Name(4,5-diphenyl-1,3-thiazol-2-yl)sulfanyl-diethoxy-sulfanylidene-lambda5-phosphane
SMILESCCOP(=S)(OCC)Sc1nc(-c2ccccc2)c(-c2ccccc2)s1
InChIInChI=1S/C19H20NO2PS3/c1-3-21-23(24,22-4-2)26-19-20-17(15-11-7-5-8-12-15)18(25-19)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3
InChIKeyFOMQQSUHVJTMHB-UHFFFAOYSA-N
XLogP6.87
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.55
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4,5-diphenyl-1,3-thiazol-2-yl)sulfanyl-diethoxy-sulfanylidene-lambda5-phosphane?
The IUPAC name of (4,5-diphenyl-1,3-thiazol-2-yl)sulfanyl-diethoxy-sulfanylidene-lambda5-phosphane (CID 14148636) is (4,5-diphenyl-1,3-thiazol-2-yl)sulfanyl-diethoxy-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for (4,5-diphenyl-1,3-thiazol-2-yl)sulfanyl-diethoxy-sulfanylidene-lambda5-phosphane?
The canonical SMILES for (4,5-diphenyl-1,3-thiazol-2-yl)sulfanyl-diethoxy-sulfanylidene-lambda5-phosphane is CCOP(=S)(OCC)Sc1nc(-c2ccccc2)c(-c2ccccc2)s1.
What is the InChIKey of (4,5-diphenyl-1,3-thiazol-2-yl)sulfanyl-diethoxy-sulfanylidene-lambda5-phosphane?
The InChIKey is FOMQQSUHVJTMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20NO2PS3/c1-3-21-23(24,22-4-2)26-19-20-17(15-11-7-5-8-12-15)18(25-19)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3.
What are the key properties of (4,5-diphenyl-1,3-thiazol-2-yl)sulfanyl-diethoxy-sulfanylidene-lambda5-phosphane?
(4,5-diphenyl-1,3-thiazol-2-yl)sulfanyl-diethoxy-sulfanylidene-lambda5-phosphane has a molecular weight of 421.55 g/mol, XLogP of 6.87, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-diphenyl-1,3-thiazol-2-yl)sulfanyl-diethoxy-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 14148636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).