7-thiabicyclo[2.2.1]hept-5-en-2-ylmethanol

C7H10OS — CID 66902639

IUPAC7-thiabicyclo[2.2.1]hept-5-en-2-ylmethanol
SMILESOCC1CC2C=CC1S2
InChIInChI=1S/C7H10OS/c8-4-5-3-6-1-2-7(5)9-6/h1-2,5-8H,3-4H2
InChIKeyLLLZVRZPNHEZKV-UHFFFAOYSA-N
MW142.22 g/mol
LogP1.04
Rot. Bonds1

About 7-thiabicyclo[2.2.1]hept-5-en-2-ylmethanol

7-thiabicyclo[2.2.1]hept-5-en-2-ylmethanol (PubChem CID 66902639) has the molecular formula C7H10OS and a molecular weight of 142.22 g/mol. Its IUPAC name is 7-thiabicyclo[2.2.1]hept-5-en-2-ylmethanol.

Molecular Properties

Compound Name7-thiabicyclo[2.2.1]hept-5-en-2-ylmethanol
PubChem CID66902639
Molecular FormulaC7H10OS
Molecular Weight142.22 g/mol
Exact Mass142.05
IUPAC Name7-thiabicyclo[2.2.1]hept-5-en-2-ylmethanol
SMILESOCC1CC2C=CC1S2
InChIInChI=1S/C7H10OS/c8-4-5-3-6-1-2-7(5)9-6/h1-2,5-8H,3-4H2
InChIKeyLLLZVRZPNHEZKV-UHFFFAOYSA-N
XLogP1.04
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.22
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(7aR)-2,3,3a,4,7,7a-hexahydro-1-benzothiophen-2-yl]methanol
CID 68199882
2-(7-Thiabicyclo[2.2.1]hept-5-en-2-yl)ethanol
CID 68585629
2,3,3a,7a-Tetrahydro-1-benzothiophen-3-ylmethanol
CID 69565393
2,3,3a,4,7,7a-Hexahydro-1-benzothiophen-2-ylmethanol
CID 77423267
4-[(1R)-cyclohexa-2,4-dien-1-yl]-5-methylthiolan-2-ol
CID 129300171
[3-(Hydroxymethyl)-7-thiabicyclo[2.2.1]hept-5-en-2-yl]methanol
CID 139912322
2-(7-Thiabicyclo[2.2.1]hept-2-en-1-yl)ethanol
CID 140069970
1-Cyclohex-3-en-1-yl-2-(thiolan-1-ium-1-yl)ethanol
CID 148659264
2,3,3a,4-Tetrahydro-1-benzothiophen-3-ylmethanol
CID 154131670
[1-(Thian-4-yl)cyclopent-3-en-1-yl]methanol
CID 160104370
2,3,3a,7a-Tetrahydro-1-benzothiophen-2-ol
CID 163550529
2-[[(1S,4R)-2-bicyclo[2.2.1]hepta-2,5-dienyl]methylsulfanyl]ethanol
CID 10487691

Frequently Asked Questions

What is the IUPAC name of 7-thiabicyclo[2.2.1]hept-5-en-2-ylmethanol?
The IUPAC name of 7-thiabicyclo[2.2.1]hept-5-en-2-ylmethanol (CID 66902639) is 7-thiabicyclo[2.2.1]hept-5-en-2-ylmethanol.
What is the SMILES notation for 7-thiabicyclo[2.2.1]hept-5-en-2-ylmethanol?
The canonical SMILES for 7-thiabicyclo[2.2.1]hept-5-en-2-ylmethanol is OCC1CC2C=CC1S2.
What is the InChIKey of 7-thiabicyclo[2.2.1]hept-5-en-2-ylmethanol?
The InChIKey is LLLZVRZPNHEZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10OS/c8-4-5-3-6-1-2-7(5)9-6/h1-2,5-8H,3-4H2.
What are the key properties of 7-thiabicyclo[2.2.1]hept-5-en-2-ylmethanol?
7-thiabicyclo[2.2.1]hept-5-en-2-ylmethanol has a molecular weight of 142.22 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-thiabicyclo[2.2.1]hept-5-en-2-ylmethanol is sourced from PubChem (CID 66902639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).