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O-Ethyl S-methyl phosphoramidothioate

HCID 82504
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Basic information

CAS
10265-93-7
Standard SMILES
CCOP(N)(=O)SC
InChIKey
MINHJPWDPAMUSK-UHFFFAOYSA-N
Molecular formula
C3H10NO2PS
Average molar mass
155.16 g/mol
Monoisotopic mass
155.01698673

Names & identifiers

Preferred name
O-Ethyl S-methyl phosphoramidothioate
IUPAC
[amino(methylsulfanyl)phosphoryl]oxyethane
English name
Phosphoramidothioic acid O-ethyl S-methyl ester
Molecular formula
C3H10NO2PS
Molecular weight
155.16

Names & synonyms

O-Ethyl S-methyl phosphoramidothioateDTXSID201030244RefChem:1093673DTXCID80151534510265-93-7Bayer 65258O-Ethyl-S-methyl thiophosphoramideBAY 65258O-Ethyl S-methyl phosphoroamidothioateENT 27,398Phosphoramidothioic acid, O-ethyl S-methyl esterPhosphoramidothioic acid O-ethyl S-methyl ester
Show more names
BAY-65258ENT-27398Bayer-65258
[amino(methylsulfanyl)phosphoryl]oxyethaneNSC 133011NSC 190989AI3-27398WLN: 2OPZO&S1SCHEMBL8098678NSC133011NSC-133011

Database identifiers

CAS
10265-93-7
PubChem CID
82504
DTXSID
DTXSID201030244
Nikkaji
J50.372J

Properties

Computed structural properties

XLogP
-0.5
Topological polar surface area
77.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
8
Formal charge
0
Complexity
107

Physicochemical properties

Melting point
67.5 °C · 67.5 °C(Solv: benzene (71-43-2); ligroine (8032-32-4))
Boiling point
226.1 · 226.1±23.0 °C(Predicted)
Density
1.229 · 1.229±0.06 g/cm3(Predicted)
pka
-0.47 · -0.47±0.70(Predicted)

Related reactions

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Compound notes

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