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S-(1,1-dimethylpropyl)ethylphosphonotrithioic acid

HCID 13715535
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CCC(C)(C)SP(=S)(S)CC
InChIKey
UCTUDSNYSIXIAG-UHFFFAOYSA-N
Molecular formula
C7H17PS3
Average molar mass
228.4 g/mol

Names & identifiers

Preferred name
S-(1,1-dimethylpropyl)ethylphosphonotrithioic acid
IUPAC
ethyl-(2-methylbutan-2-ylsulfanyl)-sulfanyl-sulfanylidene-λ5-phosphane

Names & synonyms

SCHEMBL10782334UCTUDSNYSIXIAG-UHFFFAOYSA-NS-(1,1-dimethylpropyl)ethylphosphonotrithioic acid

Database identifiers

PubChem CID
13715535

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
58.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
11
Formal charge
0
Complexity
165

Related reactions

3 records
New reaction record
HRID 65446 reaction equation
HRID 65446As productuspto-grants-1986_09
HRID 943125 reaction equation
HRID 943125As productValidation data from https://doi.org/10.1039/C8SC04228D
HRID 1906985 reaction equation
HRID 1906985As productuspto-grants-1987_03

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes