1-prop-1-en-2-yl-8,8a-dihydronaphthalene-2-thiol

C13H14S — CID 163475465

IUPAC1-prop-1-en-2-yl-8,8a-dihydronaphthalene-2-thiol
SMILESC=C(C)C1=C(S)C=CC2=CC=CCC21
InChIInChI=1S/C13H14S/c1-9(2)13-11-6-4-3-5-10(11)7-8-12(13)14/h3-5,7-8,11,14H,1,6H2,2H3
InChIKeyBZZXGIOKKNBDNJ-UHFFFAOYSA-N
MW202.32 g/mol
LogP3.82
Rot. Bonds1

About 1-prop-1-en-2-yl-8,8a-dihydronaphthalene-2-thiol

1-prop-1-en-2-yl-8,8a-dihydronaphthalene-2-thiol (PubChem CID 163475465) has the molecular formula C13H14S and a molecular weight of 202.32 g/mol. Its IUPAC name is 1-prop-1-en-2-yl-8,8a-dihydronaphthalene-2-thiol.

Molecular Properties

Compound Name1-prop-1-en-2-yl-8,8a-dihydronaphthalene-2-thiol
PubChem CID163475465
Molecular FormulaC13H14S
Molecular Weight202.32 g/mol
Exact Mass202.08
IUPAC Name1-prop-1-en-2-yl-8,8a-dihydronaphthalene-2-thiol
SMILESC=C(C)C1=C(S)C=CC2=CC=CCC21
InChIInChI=1S/C13H14S/c1-9(2)13-11-6-4-3-5-10(11)7-8-12(13)14/h3-5,7-8,11,14H,1,6H2,2H3
InChIKeyBZZXGIOKKNBDNJ-UHFFFAOYSA-N
XLogP3.82
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 53.82
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

8,8a-dihydronaphthalen-1-ol
CID 148551403
8,8a-dihydronaphthalene-2-thiol
CID 163854702
N-methyl-2-prop-1-en-2-ylcyclohexa-2,4-dien-1-amine
CID 143703111
ethane;ethene;7-ethyl-1,8a-dihydronaphthalene
CID 142864033
1-methyl-7,7a-dihydroindole
CID 149248869
7-methyl-9-propan-2-yl-6-prop-1-en-2-yl-4,4a-dihydrocarbazole
CID 137400177
7,7a-dihydro-1-benzothiophene 1,1-dioxide
CID 22321627
1-bromo-4-ethyl-3,4,10,10a-tetrahydrochrysene
CID 174429973
2,3,3a,4-tetrahydro-1H-inden-1-yl 2-methylprop-2-enoate
CID 150441183
2-cyclopenta-1,3-dien-1-yl-1-methyl-4-prop-1-en-2-ylbenzene
CID 144513942
6-methyl-1-[(3Z)-3-prop-1-en-2-ylpenta-1,3-dien-2-yl]cyclohexa-1,3-diene
CID 144719031
8,8a-dihydro-4H-naphthalen-1-one
CID 57102045

Frequently Asked Questions

What is the IUPAC name of 1-prop-1-en-2-yl-8,8a-dihydronaphthalene-2-thiol?
The IUPAC name of 1-prop-1-en-2-yl-8,8a-dihydronaphthalene-2-thiol (CID 163475465) is 1-prop-1-en-2-yl-8,8a-dihydronaphthalene-2-thiol.
What is the SMILES notation for 1-prop-1-en-2-yl-8,8a-dihydronaphthalene-2-thiol?
The canonical SMILES for 1-prop-1-en-2-yl-8,8a-dihydronaphthalene-2-thiol is C=C(C)C1=C(S)C=CC2=CC=CCC21.
What is the InChIKey of 1-prop-1-en-2-yl-8,8a-dihydronaphthalene-2-thiol?
The InChIKey is BZZXGIOKKNBDNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14S/c1-9(2)13-11-6-4-3-5-10(11)7-8-12(13)14/h3-5,7-8,11,14H,1,6H2,2H3.
What are the key properties of 1-prop-1-en-2-yl-8,8a-dihydronaphthalene-2-thiol?
1-prop-1-en-2-yl-8,8a-dihydronaphthalene-2-thiol has a molecular weight of 202.32 g/mol, XLogP of 3.82, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-1-en-2-yl-8,8a-dihydronaphthalene-2-thiol is sourced from PubChem (CID 163475465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).