O-ethyl N-thiophosphorosocarbamothioate

C3H6NOPS2 — CID 88618781

IUPACO-ethyl N-thiophosphorosocarbamothioate
SMILESCCOC(=S)NP=S
InChIInChI=1S/C3H6NOPS2/c1-2-5-3(7)4-6-8/h2H2,1H3,(H,4,7,8)
InChIKeyMIYMKOKMAXSNNX-UHFFFAOYSA-N
MW167.19 g/mol
LogP1.22
Rot. Bonds2

About O-ethyl N-thiophosphorosocarbamothioate

O-ethyl N-thiophosphorosocarbamothioate (PubChem CID 88618781) has the molecular formula C3H6NOPS2 and a molecular weight of 167.19 g/mol. Its IUPAC name is O-ethyl N-thiophosphorosocarbamothioate.

Molecular Properties

Compound NameO-ethyl N-thiophosphorosocarbamothioate
PubChem CID88618781
Molecular FormulaC3H6NOPS2
Molecular Weight167.19 g/mol
Exact Mass166.96
IUPAC NameO-ethyl N-thiophosphorosocarbamothioate
SMILESCCOC(=S)NP=S
InChIInChI=1S/C3H6NOPS2/c1-2-5-3(7)4-6-8/h2H2,1H3,(H,4,7,8)
InChIKeyMIYMKOKMAXSNNX-UHFFFAOYSA-N
XLogP1.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.19
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

O-ethyl N-ethylcarbamothioate;silver
CID 166748918
ethoxymethanedithioic acid
CID 8823
O-ethyl N-carbamoylcarbamothioate
CID 54333945
tetrakis(ethoxymethanedithioic acid);sulfane
CID 173034920
CID 131880811
CID 131880811
ethoxymethanedithioic acid;nickel
CID 54611890
bis(ethoxymethanedithioic acid);sulfane
CID 88801631
bis(ethoxymethanedithioic acid);ruthenium(2+)
CID 50910321
O-(2-methylpropyl) N-ethoxycarbothioylcarbamothioate
CID 13494854
CID 162340121
CID 162340121
sodium;ethoxymethanedithioic acid;hydride
CID 173025447
O-ethyl N-prop-2-enoylcarbamothioate
CID 91430056

Frequently Asked Questions

What is the IUPAC name of O-ethyl N-thiophosphorosocarbamothioate?
The IUPAC name of O-ethyl N-thiophosphorosocarbamothioate (CID 88618781) is O-ethyl N-thiophosphorosocarbamothioate.
What is the SMILES notation for O-ethyl N-thiophosphorosocarbamothioate?
The canonical SMILES for O-ethyl N-thiophosphorosocarbamothioate is CCOC(=S)NP=S.
What is the InChIKey of O-ethyl N-thiophosphorosocarbamothioate?
The InChIKey is MIYMKOKMAXSNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6NOPS2/c1-2-5-3(7)4-6-8/h2H2,1H3,(H,4,7,8).
What are the key properties of O-ethyl N-thiophosphorosocarbamothioate?
O-ethyl N-thiophosphorosocarbamothioate has a molecular weight of 167.19 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-ethyl N-thiophosphorosocarbamothioate is sourced from PubChem (CID 88618781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).