butylsulfanyl(dichloro)phosphane

C4H9Cl2PS — CID 15651677

IUPACbutylsulfanyl(dichloro)phosphane
SMILESCCCCSP(Cl)Cl
InChIInChI=1S/C4H9Cl2PS/c1-2-3-4-8-7(5)6/h2-4H2,1H3
InChIKeyMVOBNPXBHSRDDW-UHFFFAOYSA-N
MW191.06 g/mol
LogP4.22
Rot. Bonds4

About butylsulfanyl(dichloro)phosphane

butylsulfanyl(dichloro)phosphane (PubChem CID 15651677) has the molecular formula C4H9Cl2PS and a molecular weight of 191.06 g/mol. Its IUPAC name is butylsulfanyl(dichloro)phosphane.

Molecular Properties

Compound Namebutylsulfanyl(dichloro)phosphane
PubChem CID15651677
Molecular FormulaC4H9Cl2PS
Molecular Weight191.06 g/mol
Exact Mass189.95
IUPAC Namebutylsulfanyl(dichloro)phosphane
SMILESCCCCSP(Cl)Cl
InChIInChI=1S/C4H9Cl2PS/c1-2-3-4-8-7(5)6/h2-4H2,1H3
InChIKeyMVOBNPXBHSRDDW-UHFFFAOYSA-N
XLogP4.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.06
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

1-Butanesulfenyl chloride
CID 10855449
Chloro-methyl-propylsulfanylphosphane
CID 176424960
Chloro-methyl-propan-2-ylsulfanylphosphane
CID 176424961
Butylsulfanyl-chloro-methylphosphane
CID 176424962
Butyldichlorodithiophosphate
CID 13229575
Propylthiophosphorus chloride
CID 13354512
Butan-2-yl thiohypochlorite
CID 14116472
S-butyl dichlorophosphorothioate
CID 14175370
Butyl(trichloro)-lambda4-sulfane
CID 134996042
S,S'-diisopropyl dithiochlorophosphite
CID 15063642
Propyldithioethylphosphonous chloride
CID 129807571
[(2S)-butan-2-yl] thiohypochlorite
CID 134928317

Frequently Asked Questions

What is the IUPAC name of butylsulfanyl(dichloro)phosphane?
The IUPAC name of butylsulfanyl(dichloro)phosphane (CID 15651677) is butylsulfanyl(dichloro)phosphane.
What is the SMILES notation for butylsulfanyl(dichloro)phosphane?
The canonical SMILES for butylsulfanyl(dichloro)phosphane is CCCCSP(Cl)Cl.
What is the InChIKey of butylsulfanyl(dichloro)phosphane?
The InChIKey is MVOBNPXBHSRDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9Cl2PS/c1-2-3-4-8-7(5)6/h2-4H2,1H3.
What are the key properties of butylsulfanyl(dichloro)phosphane?
butylsulfanyl(dichloro)phosphane has a molecular weight of 191.06 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butylsulfanyl(dichloro)phosphane is sourced from PubChem (CID 15651677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).