CID 100998907

C2H3OS — CID 100998907

IUPAC—
SMILESCS[C]=O
InChIInChI=1S/C2H3OS/c1-4-2-3/h1H3
InChIKeySTHMNABCJDMDOU-UHFFFAOYSA-N
MW75.11 g/mol
LogP0.42
Rot. Bonds1

About CID 100998907

CID 100998907 (PubChem CID 100998907) has the molecular formula C2H3OS and a molecular weight of 75.11 g/mol.

Molecular Properties

Compound NameCID 100998907
PubChem CID100998907
Molecular FormulaC2H3OS
Molecular Weight75.11 g/mol
Exact Mass74.99
IUPAC Name—
SMILESCS[C]=O
InChIInChI=1S/C2H3OS/c1-4-2-3/h1H3
InChIKeySTHMNABCJDMDOU-UHFFFAOYSA-N
XLogP0.42
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50075.11
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 100998907?
The IUPAC name of CID 100998907 (CID 100998907) is not available.
What is the SMILES notation for CID 100998907?
The canonical SMILES for CID 100998907 is CS[C]=O.
What is the InChIKey of CID 100998907?
The InChIKey is STHMNABCJDMDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3OS/c1-4-2-3/h1H3.
What are the key properties of CID 100998907?
CID 100998907 has a molecular weight of 75.11 g/mol, XLogP of 0.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 100998907 is sourced from PubChem (CID 100998907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).