CID 102169930

C3H6NOS — CID 102169930

IUPAC—
SMILES[CH2]SCC(N)=O
InChIInChI=1S/C3H6NOS/c1-6-2-3(4)5/h1-2H2,(H2,4,5)
InChIKeyVYGHCTJQAWJXAB-UHFFFAOYSA-N
MW104.15 g/mol
LogP-0.00
Rot. Bonds2

About CID 102169930

CID 102169930 (PubChem CID 102169930) has the molecular formula C3H6NOS and a molecular weight of 104.15 g/mol.

Molecular Properties

Compound NameCID 102169930
PubChem CID102169930
Molecular FormulaC3H6NOS
Molecular Weight104.15 g/mol
Exact Mass104.02
IUPAC Name—
SMILES[CH2]SCC(N)=O
InChIInChI=1S/C3H6NOS/c1-6-2-3(4)5/h1-2H2,(H2,4,5)
InChIKeyVYGHCTJQAWJXAB-UHFFFAOYSA-N
XLogP-0.00
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.15
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 102169930?
The IUPAC name of CID 102169930 (CID 102169930) is not available.
What is the SMILES notation for CID 102169930?
The canonical SMILES for CID 102169930 is [CH2]SCC(N)=O.
What is the InChIKey of CID 102169930?
The InChIKey is VYGHCTJQAWJXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6NOS/c1-6-2-3(4)5/h1-2H2,(H2,4,5).
What are the key properties of CID 102169930?
CID 102169930 has a molecular weight of 104.15 g/mol, XLogP of -0.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102169930 is sourced from PubChem (CID 102169930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).