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2275-18-5 molecular structure
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diethyl ({[(propan-2-yl)carbamoyl]methyl}sulfanyl)(sulfanylidene)phosphonite

ChemBase ID: 129146
Molecular Formular: C9H20NO3PS2
Molecular Mass: 285.363761
Monoisotopic Mass: 285.06222214
SMILES and InChIs

SMILES:
O=C(NC(C)C)CSP(=S)(OCC)OCC
Canonical SMILES:
CCOP(=S)(SCC(=O)NC(C)C)OCC
InChI:
InChI=1S/C9H20NO3PS2/c1-5-12-14(15,13-6-2)16-7-9(11)10-8(3)4/h8H,5-7H2,1-4H3,(H,10,11)
InChIKey:
QTXHFDHVLBDJIO-UHFFFAOYSA-N

Cite this record

CBID:129146 http://www.chembase.cn/molecule-129146.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
diethyl ({[(propan-2-yl)carbamoyl]methyl}sulfanyl)(sulfanylidene)phosphonite
IUPAC Traditional name
prothoate
Synonyms
Isopropyl diethyldithiophosphorylacetamide
2-Diethoxyphosphinothioylthio-N-isopropylacetamide
Prothoate
CAS Number
2275-18-5
PubChem SID
162223443
PubChem CID
16774
Chemspider ID
15901
Wikipedia Title
Prothoate

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.884707  H Acceptors
H Donor LogD (pH = 5.5) 1.8286592 
LogD (pH = 7.4) 1.8286592  Log P 1.8286592 
Molar Refractivity 74.0011 cm3 Polarizability 29.710503 Å3
Polar Surface Area 47.56 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Bioassay(PubChem)
Apperance
Colorless solid expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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