8,8a-dihydronaphthalene-2-thiol

C10H10S — CID 163854702

IUPAC8,8a-dihydronaphthalene-2-thiol
SMILESSC1=CC2CC=CC=C2C=C1
InChIInChI=1S/C10H10S/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-3,5-7,9,11H,4H2
InChIKeyOXIMLFMMWSMQSD-UHFFFAOYSA-N
MW162.26 g/mol
LogP2.87
Rot. Bonds

About 8,8a-dihydronaphthalene-2-thiol

8,8a-dihydronaphthalene-2-thiol (PubChem CID 163854702) has the molecular formula C10H10S and a molecular weight of 162.26 g/mol. Its IUPAC name is 8,8a-dihydronaphthalene-2-thiol.

Molecular Properties

Compound Name8,8a-dihydronaphthalene-2-thiol
PubChem CID163854702
Molecular FormulaC10H10S
Molecular Weight162.26 g/mol
Exact Mass162.05
IUPAC Name8,8a-dihydronaphthalene-2-thiol
SMILESSC1=CC2CC=CC=C2C=C1
InChIInChI=1S/C10H10S/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-3,5-7,9,11H,4H2
InChIKeyOXIMLFMMWSMQSD-UHFFFAOYSA-N
XLogP2.87
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.26
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;ethene;7-ethyl-1,8a-dihydronaphthalene
CID 142864033
1,2,3,4,5,10a-hexahydroanthracene
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1-prop-1-en-2-yl-8,8a-dihydronaphthalene-2-thiol
CID 163475465
3-[3-(methoxymethyl)-4a,5-dihydronaphthalen-2-yl]prop-2-ene-1-thiol
CID 123442025
8,8a-dihydronaphthalen-1-ol
CID 148551403
tricyclo[10.4.0.04,9]hexadeca-1(16),6,8,10,14-pentaen-2-imine
CID 56995744
1,2,8,8a-tetrahydrocinnoline
CID 173071728
7,7a-dihydro-1-benzothiophene 1,1-dioxide
CID 22321627
1-methyl-7,7a-dihydroindole
CID 149248869
10,10a-dihydrobenzo[b][1]benzothiepine
CID 70380636
2-sulfonyl-4a,5-dihydro-1H-naphthalene
CID 54064259
cyclopenta-1,4-diene-1,3-dithiol
CID 174436557

Frequently Asked Questions

What is the IUPAC name of 8,8a-dihydronaphthalene-2-thiol?
The IUPAC name of 8,8a-dihydronaphthalene-2-thiol (CID 163854702) is 8,8a-dihydronaphthalene-2-thiol.
What is the SMILES notation for 8,8a-dihydronaphthalene-2-thiol?
The canonical SMILES for 8,8a-dihydronaphthalene-2-thiol is SC1=CC2CC=CC=C2C=C1.
What is the InChIKey of 8,8a-dihydronaphthalene-2-thiol?
The InChIKey is OXIMLFMMWSMQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10S/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-3,5-7,9,11H,4H2.
What are the key properties of 8,8a-dihydronaphthalene-2-thiol?
8,8a-dihydronaphthalene-2-thiol has a molecular weight of 162.26 g/mol, XLogP of 2.87, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8a-dihydronaphthalene-2-thiol is sourced from PubChem (CID 163854702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).