chloro-hydroxy-pentan-3-yl-sulfanylidene-λ5-phosphane

C5H12ClOPS — CID 88788448

IUPACchloro-hydroxy-pentan-3-yl-sulfanylidene-λ5-phosphane
SMILESCCC(CC)P(O)(=S)Cl
InChIInChI=1S/C5H12ClOPS/c1-3-5(4-2)8(6,7)9/h5H,3-4H2,1-2H3,(H,7,9)
InChIKeyYCPBSRCQKAZQEF-UHFFFAOYSA-N
MW186.64 g/mol
LogP2.72
Rot. Bonds3

About chloro-hydroxy-pentan-3-yl-sulfanylidene-λ5-phosphane

chloro-hydroxy-pentan-3-yl-sulfanylidene-λ5-phosphane (PubChem CID 88788448) has the molecular formula C5H12ClOPS and a molecular weight of 186.64 g/mol. Its IUPAC name is chloro-hydroxy-pentan-3-yl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namechloro-hydroxy-pentan-3-yl-sulfanylidene-λ5-phosphane
PubChem CID88788448
Molecular FormulaC5H12ClOPS
Molecular Weight186.64 g/mol
Exact Mass186.00
IUPAC Namechloro-hydroxy-pentan-3-yl-sulfanylidene-λ5-phosphane
SMILESCCC(CC)P(O)(=S)Cl
InChIInChI=1S/C5H12ClOPS/c1-3-5(4-2)8(6,7)9/h5H,3-4H2,1-2H3,(H,7,9)
InChIKeyYCPBSRCQKAZQEF-UHFFFAOYSA-N
XLogP2.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.64
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

propane;tris(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 173222318
2-[amino(hydroxy)phosphinothioyl]oxybutane
CID 146586811
propane;titanium;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 175338467
ethyl-hydroxy-methyl-sulfanylidene-λ5-phosphane
CID 12608714
(2S)-N-dihydroxyphosphinothioylbutan-2-amine
CID 88688812
di(hexan-3-yl)phosphinic acid
CID 141467079
nonan-3-ylphosphonic acid
CID 151472369
[1-(2,4,6,8,10,12,14,16,18,20-decaphosphonodocosyl)-3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79-nonatriacontaphosphonooctacontyl]phosphonic acid
CID 140627932
ethyl(trimethyl)phosphanium;methylphosphonic acid;hydroiodide
CID 175282651
zinc;3-methanidylheptane;propane;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 174937719
3-phosphonopentane-1,1,1-tricarboxylic acid
CID 88804997
butan-2-ylsulfanyl-ethoxy-hydroxy-sulfanylidene-lambda5-phosphane
CID 12918771

Frequently Asked Questions

What is the IUPAC name of chloro-hydroxy-pentan-3-yl-sulfanylidene-λ5-phosphane?
The IUPAC name of chloro-hydroxy-pentan-3-yl-sulfanylidene-λ5-phosphane (CID 88788448) is chloro-hydroxy-pentan-3-yl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for chloro-hydroxy-pentan-3-yl-sulfanylidene-λ5-phosphane?
The canonical SMILES for chloro-hydroxy-pentan-3-yl-sulfanylidene-λ5-phosphane is CCC(CC)P(O)(=S)Cl.
What is the InChIKey of chloro-hydroxy-pentan-3-yl-sulfanylidene-λ5-phosphane?
The InChIKey is YCPBSRCQKAZQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12ClOPS/c1-3-5(4-2)8(6,7)9/h5H,3-4H2,1-2H3,(H,7,9).
What are the key properties of chloro-hydroxy-pentan-3-yl-sulfanylidene-λ5-phosphane?
chloro-hydroxy-pentan-3-yl-sulfanylidene-λ5-phosphane has a molecular weight of 186.64 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-hydroxy-pentan-3-yl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 88788448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).