bis(2-methylpropylsulfanyl)methyl-dichlorophosphane

C9H19Cl2PS2 — CID 13379647

IUPACbis(2-methylpropylsulfanyl)methyl-dichlorophosphane
SMILESCC(C)CSC(SCC(C)C)P(Cl)Cl
InChIInChI=1S/C9H19Cl2PS2/c1-7(2)5-13-9(12(10)11)14-6-8(3)4/h7-9H,5-6H2,1-4H3
InChIKeyDOVOQCPKLMHFOU-UHFFFAOYSA-N
MW293.27 g/mol
LogP5.84
Rot. Bonds7

About bis(2-methylpropylsulfanyl)methyl-dichlorophosphane

bis(2-methylpropylsulfanyl)methyl-dichlorophosphane (PubChem CID 13379647) has the molecular formula C9H19Cl2PS2 and a molecular weight of 293.27 g/mol. Its IUPAC name is bis(2-methylpropylsulfanyl)methyl-dichlorophosphane.

Molecular Properties

Compound Namebis(2-methylpropylsulfanyl)methyl-dichlorophosphane
PubChem CID13379647
Molecular FormulaC9H19Cl2PS2
Molecular Weight293.27 g/mol
Exact Mass292.00
IUPAC Namebis(2-methylpropylsulfanyl)methyl-dichlorophosphane
SMILESCC(C)CSC(SCC(C)C)P(Cl)Cl
InChIInChI=1S/C9H19Cl2PS2/c1-7(2)5-13-9(12(10)11)14-6-8(3)4/h7-9H,5-6H2,1-4H3
InChIKeyDOVOQCPKLMHFOU-UHFFFAOYSA-N
XLogP5.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.27
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2,6-dimethyl-4-(2-methylpropylsulfanyl)heptane
CID 135274514
1-(2-chloroethylsulfanyl)-2-methylpropane
CID 19883756
2-methyl-1-(2-methylpropylsulfanyloxysulfanyl)propane
CID 23453508
2-(2-methylpropylsulfanyl)-N-propan-2-ylpropan-1-amine
CID 62576949
2-(2-methylpropylsulfanyl)pentan-3-one
CID 60975313
3-amino-4-methoxy-2-(2-methylpropylsulfanyl)butan-1-ol
CID 114369839
CID 87532527
CID 87532527
3-methyl-2-(2-methylpropylsulfanyl)pentanenitrile
CID 79445142
N-ethyl-4-(2-methylpropylsulfanyl)pentan-2-amine
CID 64703230
1-(2,2-difluoroethylsulfanyl)-2-methylpropane
CID 126994381
1-(3-bromopropylsulfanyl)-2-methylpropane
CID 43445829
4-[1-(2-methylpropylsulfanyl)ethyl]aniline
CID 61262045

Frequently Asked Questions

What is the IUPAC name of bis(2-methylpropylsulfanyl)methyl-dichlorophosphane?
The IUPAC name of bis(2-methylpropylsulfanyl)methyl-dichlorophosphane (CID 13379647) is bis(2-methylpropylsulfanyl)methyl-dichlorophosphane.
What is the SMILES notation for bis(2-methylpropylsulfanyl)methyl-dichlorophosphane?
The canonical SMILES for bis(2-methylpropylsulfanyl)methyl-dichlorophosphane is CC(C)CSC(SCC(C)C)P(Cl)Cl.
What is the InChIKey of bis(2-methylpropylsulfanyl)methyl-dichlorophosphane?
The InChIKey is DOVOQCPKLMHFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19Cl2PS2/c1-7(2)5-13-9(12(10)11)14-6-8(3)4/h7-9H,5-6H2,1-4H3.
What are the key properties of bis(2-methylpropylsulfanyl)methyl-dichlorophosphane?
bis(2-methylpropylsulfanyl)methyl-dichlorophosphane has a molecular weight of 293.27 g/mol, XLogP of 5.84, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylpropylsulfanyl)methyl-dichlorophosphane is sourced from PubChem (CID 13379647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).