(6-sulfanylcyclohexa-1,5-dien-1-yl)methanol

C7H10OS — CID 147651338

IUPAC(6-sulfanylcyclohexa-1,5-dien-1-yl)methanol
SMILESOCC1=CCCC=C1S
InChIInChI=1S/C7H10OS/c8-5-6-3-1-2-4-7(6)9/h3-4,8-9H,1-2,5H2
InChIKeyGJODFTAVXJPFIX-UHFFFAOYSA-N
MW142.22 g/mol
LogP1.51
Rot. Bonds1

About (6-sulfanylcyclohexa-1,5-dien-1-yl)methanol

(6-sulfanylcyclohexa-1,5-dien-1-yl)methanol (PubChem CID 147651338) has the molecular formula C7H10OS and a molecular weight of 142.22 g/mol. Its IUPAC name is (6-sulfanylcyclohexa-1,5-dien-1-yl)methanol.

Molecular Properties

Compound Name(6-sulfanylcyclohexa-1,5-dien-1-yl)methanol
PubChem CID147651338
Molecular FormulaC7H10OS
Molecular Weight142.22 g/mol
Exact Mass142.05
IUPAC Name(6-sulfanylcyclohexa-1,5-dien-1-yl)methanol
SMILESOCC1=CCCC=C1S
InChIInChI=1S/C7H10OS/c8-5-6-3-1-2-4-7(6)9/h3-4,8-9H,1-2,5H2
InChIKeyGJODFTAVXJPFIX-UHFFFAOYSA-N
XLogP1.51
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.22
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6-sulfanylcyclohexa-1,5-dien-1-yl)methanol?
The IUPAC name of (6-sulfanylcyclohexa-1,5-dien-1-yl)methanol (CID 147651338) is (6-sulfanylcyclohexa-1,5-dien-1-yl)methanol.
What is the SMILES notation for (6-sulfanylcyclohexa-1,5-dien-1-yl)methanol?
The canonical SMILES for (6-sulfanylcyclohexa-1,5-dien-1-yl)methanol is OCC1=CCCC=C1S.
What is the InChIKey of (6-sulfanylcyclohexa-1,5-dien-1-yl)methanol?
The InChIKey is GJODFTAVXJPFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10OS/c8-5-6-3-1-2-4-7(6)9/h3-4,8-9H,1-2,5H2.
What are the key properties of (6-sulfanylcyclohexa-1,5-dien-1-yl)methanol?
(6-sulfanylcyclohexa-1,5-dien-1-yl)methanol has a molecular weight of 142.22 g/mol, XLogP of 1.51, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-sulfanylcyclohexa-1,5-dien-1-yl)methanol is sourced from PubChem (CID 147651338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).