CID 143880175

C11H22OS — CID 143880175

IUPAC—
SMILESO=C1CCCS1.[CH2]CC.[CH2]CCC
InChIInChI=1S/C4H6OS.C4H9.C3H7/c5-4-2-1-3-6-4;1-3-4-2;1-3-2/h1-3H2;1,3-4H2,2H3;1,3H2,2H3
InChIKeyRSWSYVKSLFETBE-UHFFFAOYSA-N
MW202.36 g/mol
LogP3.89
Rot. Bonds1

About CID 143880175

CID 143880175 (PubChem CID 143880175) has the molecular formula C11H22OS and a molecular weight of 202.36 g/mol.

Molecular Properties

Compound NameCID 143880175
PubChem CID143880175
Molecular FormulaC11H22OS
Molecular Weight202.36 g/mol
Exact Mass202.14
IUPAC Name—
SMILESO=C1CCCS1.[CH2]CC.[CH2]CCC
InChIInChI=1S/C4H6OS.C4H9.C3H7/c5-4-2-1-3-6-4;1-3-4-2;1-3-2/h1-3H2;1,3-4H2,2H3;1,3H2,2H3
InChIKeyRSWSYVKSLFETBE-UHFFFAOYSA-N
XLogP3.89
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.36
LogP ≤ 53.89
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 143880175?
The IUPAC name of CID 143880175 (CID 143880175) is not available.
What is the SMILES notation for CID 143880175?
The canonical SMILES for CID 143880175 is O=C1CCCS1.[CH2]CC.[CH2]CCC.
What is the InChIKey of CID 143880175?
The InChIKey is RSWSYVKSLFETBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6OS.C4H9.C3H7/c5-4-2-1-3-6-4;1-3-4-2;1-3-2/h1-3H2;1,3-4H2,2H3;1,3H2,2H3.
What are the key properties of CID 143880175?
CID 143880175 has a molecular weight of 202.36 g/mol, XLogP of 3.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 143880175 is sourced from PubChem (CID 143880175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).