CID 10313493

C3H7NaO4PS — CID 10313493

IUPAC—
SMILESCOC(=O)P(=O)(O)SC.[Na]
InChIInChI=1S/C3H7O4PS.Na/c1-7-3(4)8(5,6)9-2;/h1-2H3,(H,5,6);
InChIKeyIKWWJCUMTIGERN-UHFFFAOYSA-N
MW193.12 g/mol
LogP0.92
Rot. Bonds2

About CID 10313493

CID 10313493 (PubChem CID 10313493) has the molecular formula C3H7NaO4PS and a molecular weight of 193.12 g/mol.

Molecular Properties

Compound NameCID 10313493
PubChem CID10313493
Molecular FormulaC3H7NaO4PS
Molecular Weight193.12 g/mol
Exact Mass192.97
IUPAC Name—
SMILESCOC(=O)P(=O)(O)SC.[Na]
InChIInChI=1S/C3H7O4PS.Na/c1-7-3(4)8(5,6)9-2;/h1-2H3,(H,5,6);
InChIKeyIKWWJCUMTIGERN-UHFFFAOYSA-N
XLogP0.92
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.12
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methoxycarbonyl(prop-2-enoxy)phosphinic acid
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bis(methylsulfanyl)phosphinic acid;isocyanic acid
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CID 59319489
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carbanylium;methyl dihydrogen phosphate
CID 165007935
methyl hypochlorite;phosphoric acid
CID 175163315
[amino(methylsulfanyl)phosphoryl]oxymethane;methyl 2-hydroxybenzoate
CID 175273966
methyl prop-2-enoate;phosphoric acid
CID 174689976
dimethoxyphosphorylurea
CID 4123295
CID 159816390
CID 159816390
CID 131878072
CID 131878072
Sodium phosphate dibasic, p.a.
CID 86587427

Frequently Asked Questions

What is the IUPAC name of CID 10313493?
The IUPAC name of CID 10313493 (CID 10313493) is not available.
What is the SMILES notation for CID 10313493?
The canonical SMILES for CID 10313493 is COC(=O)P(=O)(O)SC.[Na].
What is the InChIKey of CID 10313493?
The InChIKey is IKWWJCUMTIGERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7O4PS.Na/c1-7-3(4)8(5,6)9-2;/h1-2H3,(H,5,6);.
What are the key properties of CID 10313493?
CID 10313493 has a molecular weight of 193.12 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10313493 is sourced from PubChem (CID 10313493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).