2H-thiocin-5-ylmethanol

C8H10OS — CID 175142180

IUPAC2H-thiocin-5-ylmethanol
SMILESOCC1=CC=CSCC=C1
InChIInChI=1S/C8H10OS/c9-7-8-3-1-5-10-6-2-4-8/h1-5,9H,6-7H2
InChIKeyFXRDXVFELWBRIB-UHFFFAOYSA-N
MW154.23 g/mol
LogP1.72
Rot. Bonds1

About 2H-thiocin-5-ylmethanol

2H-thiocin-5-ylmethanol (PubChem CID 175142180) has the molecular formula C8H10OS and a molecular weight of 154.23 g/mol. Its IUPAC name is 2H-thiocin-5-ylmethanol.

Molecular Properties

Compound Name2H-thiocin-5-ylmethanol
PubChem CID175142180
Molecular FormulaC8H10OS
Molecular Weight154.23 g/mol
Exact Mass154.05
IUPAC Name2H-thiocin-5-ylmethanol
SMILESOCC1=CC=CSCC=C1
InChIInChI=1S/C8H10OS/c9-7-8-3-1-5-10-6-2-4-8/h1-5,9H,6-7H2
InChIKeyFXRDXVFELWBRIB-UHFFFAOYSA-N
XLogP1.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.23
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2H-thiocin-5-ylmethanol?
The IUPAC name of 2H-thiocin-5-ylmethanol (CID 175142180) is 2H-thiocin-5-ylmethanol.
What is the SMILES notation for 2H-thiocin-5-ylmethanol?
The canonical SMILES for 2H-thiocin-5-ylmethanol is OCC1=CC=CSCC=C1.
What is the InChIKey of 2H-thiocin-5-ylmethanol?
The InChIKey is FXRDXVFELWBRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10OS/c9-7-8-3-1-5-10-6-2-4-8/h1-5,9H,6-7H2.
What are the key properties of 2H-thiocin-5-ylmethanol?
2H-thiocin-5-ylmethanol has a molecular weight of 154.23 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-thiocin-5-ylmethanol is sourced from PubChem (CID 175142180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).