butan-2-ylsulfanyl-butyl-methylphosphane

C9H21PS — CID 167296213

IUPACbutan-2-ylsulfanyl-butyl-methylphosphane
SMILESCCCCP(C)SC(C)CC
InChIInChI=1S/C9H21PS/c1-5-7-8-10(4)11-9(3)6-2/h9H,5-8H2,1-4H3
InChIKeyNBZXRSOEGNBDLJ-UHFFFAOYSA-N
MW192.31 g/mol
LogP4.34
Rot. Bonds6

About butan-2-ylsulfanyl-butyl-methylphosphane

butan-2-ylsulfanyl-butyl-methylphosphane (PubChem CID 167296213) has the molecular formula C9H21PS and a molecular weight of 192.31 g/mol. Its IUPAC name is butan-2-ylsulfanyl-butyl-methylphosphane.

Molecular Properties

Compound Namebutan-2-ylsulfanyl-butyl-methylphosphane
PubChem CID167296213
Molecular FormulaC9H21PS
Molecular Weight192.31 g/mol
Exact Mass192.11
IUPAC Namebutan-2-ylsulfanyl-butyl-methylphosphane
SMILESCCCCP(C)SC(C)CC
InChIInChI=1S/C9H21PS/c1-5-7-8-10(4)11-9(3)6-2/h9H,5-8H2,1-4H3
InChIKeyNBZXRSOEGNBDLJ-UHFFFAOYSA-N
XLogP4.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-butan-2-ylsulfanylbutane
CID 525455
(R)-hexan-2-yl-methyl-propylphosphane
CID 88871089
2-ethylsulfanylbutane
CID 521270
2-(butan-2-yldisulfanyl)-2-methylheptane
CID 118070753
(2S)-2-[[(2R)-butan-2-yl]disulfanyl]butane
CID 7458634
triethyl(hexan-2-yl)azanium
CID 88691011
1-dibutylphosphanylethanol
CID 89485463
dibutyl-[1,2,2-tris(dibutylphosphanyl)ethyl]phosphane
CID 18386849
2-butan-2-ylsulfanyl-3-butylsulfanylbutane
CID 173286004
2-butan-2-ylsulfanyl-2-butylsulfanylbutane
CID 173291923
1-dibutylphosphanylpropan-1-ol
CID 89485556
butyl-di(hexan-2-yl)phosphane
CID 22497719

Frequently Asked Questions

What is the IUPAC name of butan-2-ylsulfanyl-butyl-methylphosphane?
The IUPAC name of butan-2-ylsulfanyl-butyl-methylphosphane (CID 167296213) is butan-2-ylsulfanyl-butyl-methylphosphane.
What is the SMILES notation for butan-2-ylsulfanyl-butyl-methylphosphane?
The canonical SMILES for butan-2-ylsulfanyl-butyl-methylphosphane is CCCCP(C)SC(C)CC.
What is the InChIKey of butan-2-ylsulfanyl-butyl-methylphosphane?
The InChIKey is NBZXRSOEGNBDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21PS/c1-5-7-8-10(4)11-9(3)6-2/h9H,5-8H2,1-4H3.
What are the key properties of butan-2-ylsulfanyl-butyl-methylphosphane?
butan-2-ylsulfanyl-butyl-methylphosphane has a molecular weight of 192.31 g/mol, XLogP of 4.34, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-ylsulfanyl-butyl-methylphosphane is sourced from PubChem (CID 167296213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).