CID 177194540

C8H11O2S — CID 177194540

IUPAC—
SMILESCOC(=O)CCC1=C[CH]SC1
InChIInChI=1S/C8H11O2S/c1-10-8(9)3-2-7-4-5-11-6-7/h4-5H,2-3,6H2,1H3
InChIKeyRLRAPDRZDFNUGR-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.77
Rot. Bonds3

About CID 177194540

CID 177194540 (PubChem CID 177194540) has the molecular formula C8H11O2S and a molecular weight of 171.24 g/mol.

Molecular Properties

Compound NameCID 177194540
PubChem CID177194540
Molecular FormulaC8H11O2S
Molecular Weight171.24 g/mol
Exact Mass171.05
IUPAC Name—
SMILESCOC(=O)CCC1=C[CH]SC1
InChIInChI=1S/C8H11O2S/c1-10-8(9)3-2-7-4-5-11-6-7/h4-5H,2-3,6H2,1H3
InChIKeyRLRAPDRZDFNUGR-UHFFFAOYSA-N
XLogP1.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 177194540?
The IUPAC name of CID 177194540 (CID 177194540) is not available.
What is the SMILES notation for CID 177194540?
The canonical SMILES for CID 177194540 is COC(=O)CCC1=C[CH]SC1.
What is the InChIKey of CID 177194540?
The InChIKey is RLRAPDRZDFNUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11O2S/c1-10-8(9)3-2-7-4-5-11-6-7/h4-5H,2-3,6H2,1H3.
What are the key properties of CID 177194540?
CID 177194540 has a molecular weight of 171.24 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 177194540 is sourced from PubChem (CID 177194540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).