CID 58639710

CH4NO2S — CID 58639710

IUPAC—
SMILESCOS([NH])=O
InChIInChI=1S/CH4NO2S/c1-4-5(2)3/h2H,1H3
InChIKeyXIURFRDCVFMJEH-UHFFFAOYSA-N
MW94.11 g/mol
LogP-0.51
Rot. Bonds1

About CID 58639710

CID 58639710 (PubChem CID 58639710) has the molecular formula CH4NO2S and a molecular weight of 94.11 g/mol.

Molecular Properties

Compound NameCID 58639710
PubChem CID58639710
Molecular FormulaCH4NO2S
Molecular Weight94.11 g/mol
Exact Mass94.00
IUPAC Name—
SMILESCOS([NH])=O
InChIInChI=1S/CH4NO2S/c1-4-5(2)3/h2H,1H3
InChIKeyXIURFRDCVFMJEH-UHFFFAOYSA-N
XLogP-0.51
TPSA50.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.11
LogP ≤ 5-0.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 58639710?
The IUPAC name of CID 58639710 (CID 58639710) is not available.
What is the SMILES notation for CID 58639710?
The canonical SMILES for CID 58639710 is COS([NH])=O.
What is the InChIKey of CID 58639710?
The InChIKey is XIURFRDCVFMJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4NO2S/c1-4-5(2)3/h2H,1H3.
What are the key properties of CID 58639710?
CID 58639710 has a molecular weight of 94.11 g/mol, XLogP of -0.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58639710 is sourced from PubChem (CID 58639710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).