butylsulfanyl-bis(2-methylpropyl)-sulfanylidene-λ5-phosphane

C12H27PS2 — CID 21391639

IUPACbutylsulfanyl-bis(2-methylpropyl)-sulfanylidene-λ5-phosphane
SMILESCCCCSP(=S)(CC(C)C)CC(C)C
InChIInChI=1S/C12H27PS2/c1-6-7-8-15-13(14,9-11(2)3)10-12(4)5/h11-12H,6-10H2,1-5H3
InChIKeyUXPBCOYGKJWWIU-UHFFFAOYSA-N
MW266.46 g/mol
LogP5.23
Rot. Bonds8

About butylsulfanyl-bis(2-methylpropyl)-sulfanylidene-λ5-phosphane

butylsulfanyl-bis(2-methylpropyl)-sulfanylidene-λ5-phosphane (PubChem CID 21391639) has the molecular formula C12H27PS2 and a molecular weight of 266.46 g/mol. Its IUPAC name is butylsulfanyl-bis(2-methylpropyl)-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namebutylsulfanyl-bis(2-methylpropyl)-sulfanylidene-λ5-phosphane
PubChem CID21391639
Molecular FormulaC12H27PS2
Molecular Weight266.46 g/mol
Exact Mass266.13
IUPAC Namebutylsulfanyl-bis(2-methylpropyl)-sulfanylidene-λ5-phosphane
SMILESCCCCSP(=S)(CC(C)C)CC(C)C
InChIInChI=1S/C12H27PS2/c1-6-7-8-15-13(14,9-11(2)3)10-12(4)5/h11-12H,6-10H2,1-5H3
InChIKeyUXPBCOYGKJWWIU-UHFFFAOYSA-N
XLogP5.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.46
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

butylsulfanyl-chloro-ethyl-sulfanylidene-lambda5-phosphane
CID 15055139
dichloro-pentylsulfanyl-sulfanylidene-lambda5-phosphane
CID 15833782
N-[butylsulfanyl(diethylamino)phosphinothioyl]-N-ethylethanamine
CID 2361198
dihydroxy-sulfanylidene-tetradecylsulfanyl-λ5-phosphane
CID 21217456
copper octylsulfanyl-dioxido-sulfanylidene-λ5-phosphane
CID 141062183
butylsulfanyl-chloro-methoxy-sulfanylidene-λ5-phosphane
CID 57280787
bis(dioxido-sulfanylidene-tridecylsulfanyl-λ5-phosphane);molybdenum(4+)
CID 162208219
CID 5483603
CID 5483603
1-butan-2-ylsulfanylbutane
CID 525455
potassium butylsulfanyl-ethoxy-oxido-sulfanylidene-λ5-phosphane
CID 88816879
1-[chloro(ethyl)phosphoryl]sulfanylbutane
CID 20555802
octoxy-bis(octylsulfanyl)-sulfanylidene-λ5-phosphane
CID 54515285

Frequently Asked Questions

What is the IUPAC name of butylsulfanyl-bis(2-methylpropyl)-sulfanylidene-λ5-phosphane?
The IUPAC name of butylsulfanyl-bis(2-methylpropyl)-sulfanylidene-λ5-phosphane (CID 21391639) is butylsulfanyl-bis(2-methylpropyl)-sulfanylidene-λ5-phosphane.
What is the SMILES notation for butylsulfanyl-bis(2-methylpropyl)-sulfanylidene-λ5-phosphane?
The canonical SMILES for butylsulfanyl-bis(2-methylpropyl)-sulfanylidene-λ5-phosphane is CCCCSP(=S)(CC(C)C)CC(C)C.
What is the InChIKey of butylsulfanyl-bis(2-methylpropyl)-sulfanylidene-λ5-phosphane?
The InChIKey is UXPBCOYGKJWWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27PS2/c1-6-7-8-15-13(14,9-11(2)3)10-12(4)5/h11-12H,6-10H2,1-5H3.
What are the key properties of butylsulfanyl-bis(2-methylpropyl)-sulfanylidene-λ5-phosphane?
butylsulfanyl-bis(2-methylpropyl)-sulfanylidene-λ5-phosphane has a molecular weight of 266.46 g/mol, XLogP of 5.23, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butylsulfanyl-bis(2-methylpropyl)-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 21391639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).