CID 58639714

CH4NO3S — CID 58639714

IUPAC—
SMILESCOS([NH])(=O)=O
InChIInChI=1S/CH4NO3S/c1-5-6(2,3)4/h2H,1H3
InChIKeyCIJZAIZZCWNIBQ-UHFFFAOYSA-N
MW110.11 g/mol
LogP-0.84
Rot. Bonds1

About CID 58639714

CID 58639714 (PubChem CID 58639714) has the molecular formula CH4NO3S and a molecular weight of 110.11 g/mol.

Molecular Properties

Compound NameCID 58639714
PubChem CID58639714
Molecular FormulaCH4NO3S
Molecular Weight110.11 g/mol
Exact Mass109.99
IUPAC Name—
SMILESCOS([NH])(=O)=O
InChIInChI=1S/CH4NO3S/c1-5-6(2,3)4/h2H,1H3
InChIKeyCIJZAIZZCWNIBQ-UHFFFAOYSA-N
XLogP-0.84
TPSA67.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.11
LogP ≤ 5-0.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 58639714?
The IUPAC name of CID 58639714 (CID 58639714) is not available.
What is the SMILES notation for CID 58639714?
The canonical SMILES for CID 58639714 is COS([NH])(=O)=O.
What is the InChIKey of CID 58639714?
The InChIKey is CIJZAIZZCWNIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4NO3S/c1-5-6(2,3)4/h2H,1H3.
What are the key properties of CID 58639714?
CID 58639714 has a molecular weight of 110.11 g/mol, XLogP of -0.84, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58639714 is sourced from PubChem (CID 58639714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).