[(1S)-2-bicyclo[2.2.1]hept-5-enyl]sulfanyl-diethoxy-sulfanylidene-λ5-phosphane

C11H19O2PS2 — CID 54537627

IUPAC[(1S)-2-bicyclo[2.2.1]hept-5-enyl]sulfanyl-diethoxy-sulfanylidene-λ5-phosphane
SMILESCCOP(=S)(OCC)SC1CC2C=C[C@@H]1C2
InChIInChI=1S/C11H19O2PS2/c1-3-12-14(15,13-4-2)16-11-8-9-5-6-10(11)7-9/h5-6,9-11H,3-4,7-8H2,1-2H3/t9?,10-,11?/m1/s1
InChIKeyZAXPWJMOBFXJPN-HSOILSAZSA-N
MW278.38 g/mol
LogP3.98
Rot. Bonds6

About [(1S)-2-bicyclo[2.2.1]hept-5-enyl]sulfanyl-diethoxy-sulfanylidene-λ5-phosphane

[(1S)-2-bicyclo[2.2.1]hept-5-enyl]sulfanyl-diethoxy-sulfanylidene-λ5-phosphane (PubChem CID 54537627) has the molecular formula C11H19O2PS2 and a molecular weight of 278.38 g/mol. Its IUPAC name is [(1S)-2-bicyclo[2.2.1]hept-5-enyl]sulfanyl-diethoxy-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Name[(1S)-2-bicyclo[2.2.1]hept-5-enyl]sulfanyl-diethoxy-sulfanylidene-λ5-phosphane
PubChem CID54537627
Molecular FormulaC11H19O2PS2
Molecular Weight278.38 g/mol
Exact Mass278.06
IUPAC Name[(1S)-2-bicyclo[2.2.1]hept-5-enyl]sulfanyl-diethoxy-sulfanylidene-λ5-phosphane
SMILESCCOP(=S)(OCC)SC1CC2C=C[C@@H]1C2
InChIInChI=1S/C11H19O2PS2/c1-3-12-14(15,13-4-2)16-11-8-9-5-6-10(11)7-9/h5-6,9-11H,3-4,7-8H2,1-2H3/t9?,10-,11?/m1/s1
InChIKeyZAXPWJMOBFXJPN-HSOILSAZSA-N
XLogP3.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

diethoxy-sulfanylidene-(thiiran-2-ylmethylsulfanyl)-λ5-phosphane
CID 11043454
(1S,4S,5R)-5-ethylbicyclo[2.2.1]hept-2-ene
CID 96570682
2-bicyclo[2.2.1]hept-5-enylmethanol;hydroperoxyethane
CID 87177397
2-bicyclo[2.2.1]hept-5-enyl-diethoxy-methylsilane
CID 14985012
(diethoxyphosphinothioyltetrasulfanyl)-diethoxy-sulfanylidene-lambda5-phosphane
CID 12506612
S-(2-bicyclo[2.2.1]hept-5-enyl) N-butylcarbamothioate
CID 20649863
ethyl (1R,2R,4R)-bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 10899051
1-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-pentan-3-ylpiperazine-1,4-diium
CID 11859999
5-propoxybicyclo[2.2.1]hept-2-ene
CID 22754180
2-bicyclo[2.2.1]hept-5-enyl-ethoxy-dimethoxysilane
CID 176549494
ethyl N-(bicyclo[2.2.1]hept-5-ene-2-carbonyl)carbamate
CID 69413052
(1S,4S,5R)-5-phenylsulfanylbicyclo[2.2.1]hept-2-ene
CID 102096548

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-bicyclo[2.2.1]hept-5-enyl]sulfanyl-diethoxy-sulfanylidene-λ5-phosphane?
The IUPAC name of [(1S)-2-bicyclo[2.2.1]hept-5-enyl]sulfanyl-diethoxy-sulfanylidene-λ5-phosphane (CID 54537627) is [(1S)-2-bicyclo[2.2.1]hept-5-enyl]sulfanyl-diethoxy-sulfanylidene-λ5-phosphane.
What is the SMILES notation for [(1S)-2-bicyclo[2.2.1]hept-5-enyl]sulfanyl-diethoxy-sulfanylidene-λ5-phosphane?
The canonical SMILES for [(1S)-2-bicyclo[2.2.1]hept-5-enyl]sulfanyl-diethoxy-sulfanylidene-λ5-phosphane is CCOP(=S)(OCC)SC1CC2C=C[C@@H]1C2.
What is the InChIKey of [(1S)-2-bicyclo[2.2.1]hept-5-enyl]sulfanyl-diethoxy-sulfanylidene-λ5-phosphane?
The InChIKey is ZAXPWJMOBFXJPN-HSOILSAZSA-N. The full InChI is InChI=1S/C11H19O2PS2/c1-3-12-14(15,13-4-2)16-11-8-9-5-6-10(11)7-9/h5-6,9-11H,3-4,7-8H2,1-2H3/t9?,10-,11?/m1/s1.
What are the key properties of [(1S)-2-bicyclo[2.2.1]hept-5-enyl]sulfanyl-diethoxy-sulfanylidene-λ5-phosphane?
[(1S)-2-bicyclo[2.2.1]hept-5-enyl]sulfanyl-diethoxy-sulfanylidene-λ5-phosphane has a molecular weight of 278.38 g/mol, XLogP of 3.98, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-bicyclo[2.2.1]hept-5-enyl]sulfanyl-diethoxy-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 54537627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).