2-thiophosphorosooxyacetamide

C2H4NO2PS — CID 88622455

IUPAC2-thiophosphorosooxyacetamide
SMILESNC(=O)COP=S
InChIInChI=1S/C2H4NO2PS/c3-2(4)1-5-6-7/h1H2,(H2,3,4)
InChIKeyMYYXTULZNRZRCX-UHFFFAOYSA-N
MW137.10 g/mol
LogP-0.19
Rot. Bonds3

About 2-thiophosphorosooxyacetamide

2-thiophosphorosooxyacetamide (PubChem CID 88622455) has the molecular formula C2H4NO2PS and a molecular weight of 137.10 g/mol. Its IUPAC name is 2-thiophosphorosooxyacetamide.

Molecular Properties

Compound Name2-thiophosphorosooxyacetamide
PubChem CID88622455
Molecular FormulaC2H4NO2PS
Molecular Weight137.10 g/mol
Exact Mass136.97
IUPAC Name2-thiophosphorosooxyacetamide
SMILESNC(=O)COP=S
InChIInChI=1S/C2H4NO2PS/c3-2(4)1-5-6-7/h1H2,(H2,3,4)
InChIKeyMYYXTULZNRZRCX-UHFFFAOYSA-N
XLogP-0.19
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.10
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-thiophosphorosooxyacetamide?
The IUPAC name of 2-thiophosphorosooxyacetamide (CID 88622455) is 2-thiophosphorosooxyacetamide.
What is the SMILES notation for 2-thiophosphorosooxyacetamide?
The canonical SMILES for 2-thiophosphorosooxyacetamide is NC(=O)COP=S.
What is the InChIKey of 2-thiophosphorosooxyacetamide?
The InChIKey is MYYXTULZNRZRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4NO2PS/c3-2(4)1-5-6-7/h1H2,(H2,3,4).
What are the key properties of 2-thiophosphorosooxyacetamide?
2-thiophosphorosooxyacetamide has a molecular weight of 137.10 g/mol, XLogP of -0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophosphorosooxyacetamide is sourced from PubChem (CID 88622455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).