CID 141192629

C14H30BiO2PS2 — CID 141192629

IUPAC—
SMILESCCCCCCCOP(=S)(O[Bi])SCCCCCCC
InChIInChI=1S/C14H31O2PS2.Bi/c1-3-5-7-9-11-13-16-17(15,18)19-14-12-10-8-6-4-2;/h3-14H2,1-2H3,(H,15,18);/q;+1/p-1
InChIKeySDZLNOYOBUWRDH-UHFFFAOYSA-M
MW534.48 g/mol
LogP6.00
Rot. Bonds15

About CID 141192629

CID 141192629 (PubChem CID 141192629) has the molecular formula C14H30BiO2PS2 and a molecular weight of 534.48 g/mol.

Molecular Properties

Compound NameCID 141192629
PubChem CID141192629
Molecular FormulaC14H30BiO2PS2
Molecular Weight534.48 g/mol
Exact Mass534.12
IUPAC Name—
SMILESCCCCCCCOP(=S)(O[Bi])SCCCCCCC
InChIInChI=1S/C14H31O2PS2.Bi/c1-3-5-7-9-11-13-16-17(15,18)19-14-12-10-8-6-4-2;/h3-14H2,1-2H3,(H,15,18);/q;+1/p-1
InChIKeySDZLNOYOBUWRDH-UHFFFAOYSA-M
XLogP6.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.48
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

didecoxy-decylsulfanyl-sulfanylidene-lambda5-phosphane
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octoxy-bis(octylsulfanyl)-sulfanylidene-λ5-phosphane
CID 54515285
CID 139924251
CID 139924251
(dihexadecoxyphosphinothioyldisulfanyl)-dihexadecoxy-sulfanylidene-λ5-phosphane
CID 12599758
hydroxy-sulfanylidene-triacontoxy-triacontylsulfanyl-λ5-phosphane
CID 161189025
hydroxy-octoxy-octylsulfanyl-sulfanylidene-λ5-phosphane;zinc
CID 87073233
hydroxy-nonoxy-nonylsulfanyl-sulfanylidene-λ5-phosphane;zinc
CID 87073286
hydroxy-pentoxy-pentylsulfanyl-sulfanylidene-λ5-phosphane;λ2-plumbane
CID 173386502
hydroxy-pentoxy-pentylsulfanyl-sulfanylidene-λ5-phosphane;zinc
CID 87073414
1-[butylsulfanyl(hexoxy)phosphoryl]oxyhexane
CID 170848700
1-[decylsulfanyl(dodecoxy)phosphoryl]oxydodecane
CID 88718866
1-[decoxy(octylsulfanyl)phosphoryl]oxydecane
CID 88718944

Frequently Asked Questions

What is the IUPAC name of CID 141192629?
The IUPAC name of CID 141192629 (CID 141192629) is not available.
What is the SMILES notation for CID 141192629?
The canonical SMILES for CID 141192629 is CCCCCCCOP(=S)(O[Bi])SCCCCCCC.
What is the InChIKey of CID 141192629?
The InChIKey is SDZLNOYOBUWRDH-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H31O2PS2.Bi/c1-3-5-7-9-11-13-16-17(15,18)19-14-12-10-8-6-4-2;/h3-14H2,1-2H3,(H,15,18);/q;+1/p-1.
What are the key properties of CID 141192629?
CID 141192629 has a molecular weight of 534.48 g/mol, XLogP of 6.00, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 141192629 is sourced from PubChem (CID 141192629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).