CID 22762436

C3H8NOS- — CID 22762436

IUPAC—
SMILES[H]/N=[S-](=O)/CCC
InChIInChI=1S/C3H8NOS/c1-2-3-6(4)5/h4H,2-3H2,1H3/q-1
InChIKeyOHNMNNWZIVSKBC-UHFFFAOYSA-N
MW106.17 g/mol
LogP1.12
Rot. Bonds2

About CID 22762436

CID 22762436 (PubChem CID 22762436) has the molecular formula C3H8NOS- and a molecular weight of 106.17 g/mol.

Molecular Properties

Compound NameCID 22762436
PubChem CID22762436
Molecular FormulaC3H8NOS-
Molecular Weight106.17 g/mol
Exact Mass106.03
IUPAC Name—
SMILES[H]/N=[S-](=O)/CCC
InChIInChI=1S/C3H8NOS/c1-2-3-6(4)5/h4H,2-3H2,1H3/q-1
InChIKeyOHNMNNWZIVSKBC-UHFFFAOYSA-N
XLogP1.12
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.17
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 22762436?
The IUPAC name of CID 22762436 (CID 22762436) is not available.
What is the SMILES notation for CID 22762436?
The canonical SMILES for CID 22762436 is [H]/N=[S-](=O)/CCC.
What is the InChIKey of CID 22762436?
The InChIKey is OHNMNNWZIVSKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8NOS/c1-2-3-6(4)5/h4H,2-3H2,1H3/q-1.
What are the key properties of CID 22762436?
CID 22762436 has a molecular weight of 106.17 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22762436 is sourced from PubChem (CID 22762436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).