CID 22762438

C3H8NOS- — CID 22762438

IUPAC—
SMILES[H]/N=[S-](=O)/C(C)C
InChIInChI=1S/C3H8NOS/c1-3(2)6(4)5/h3-4H,1-2H3/q-1
InChIKeyURUSQKASYVJESR-UHFFFAOYSA-N
MW106.17 g/mol
LogP1.12
Rot. Bonds1

About CID 22762438

CID 22762438 (PubChem CID 22762438) has the molecular formula C3H8NOS- and a molecular weight of 106.17 g/mol.

Molecular Properties

Compound NameCID 22762438
PubChem CID22762438
Molecular FormulaC3H8NOS-
Molecular Weight106.17 g/mol
Exact Mass106.03
IUPAC Name—
SMILES[H]/N=[S-](=O)/C(C)C
InChIInChI=1S/C3H8NOS/c1-3(2)6(4)5/h3-4H,1-2H3/q-1
InChIKeyURUSQKASYVJESR-UHFFFAOYSA-N
XLogP1.12
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
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 22762438?
The IUPAC name of CID 22762438 (CID 22762438) is not available.
What is the SMILES notation for CID 22762438?
The canonical SMILES for CID 22762438 is [H]/N=[S-](=O)/C(C)C.
What is the InChIKey of CID 22762438?
The InChIKey is URUSQKASYVJESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8NOS/c1-3(2)6(4)5/h3-4H,1-2H3/q-1.
What are the key properties of CID 22762438?
CID 22762438 has a molecular weight of 106.17 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22762438 is sourced from PubChem (CID 22762438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).