CID 59376413

C7H10OS — CID 59376413

IUPAC—
SMILES[CH]CC1=C(C)OCCS1
InChIInChI=1S/C7H10OS/c1-3-7-6(2)8-4-5-9-7/h1H,3-5H2,2H3
InChIKeyIWYCMOPNUMSUBH-UHFFFAOYSA-N
MW142.22 g/mol
LogP2.08
Rot. Bonds1

About CID 59376413

CID 59376413 (PubChem CID 59376413) has the molecular formula C7H10OS and a molecular weight of 142.22 g/mol.

Molecular Properties

Compound NameCID 59376413
PubChem CID59376413
Molecular FormulaC7H10OS
Molecular Weight142.22 g/mol
Exact Mass142.05
IUPAC Name—
SMILES[CH]CC1=C(C)OCCS1
InChIInChI=1S/C7H10OS/c1-3-7-6(2)8-4-5-9-7/h1H,3-5H2,2H3
InChIKeyIWYCMOPNUMSUBH-UHFFFAOYSA-N
XLogP2.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.22
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 59376413?
The IUPAC name of CID 59376413 (CID 59376413) is not available.
What is the SMILES notation for CID 59376413?
The canonical SMILES for CID 59376413 is [CH]CC1=C(C)OCCS1.
What is the InChIKey of CID 59376413?
The InChIKey is IWYCMOPNUMSUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10OS/c1-3-7-6(2)8-4-5-9-7/h1H,3-5H2,2H3.
What are the key properties of CID 59376413?
CID 59376413 has a molecular weight of 142.22 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59376413 is sourced from PubChem (CID 59376413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).