5H-Tetrazole-5-thione,1,2-dihydro-1-(1-naphthalenyl)-

C11H9N4S — CID 167996619

IUPAC—
SMILESC1=Cc2ccccc2C([S]=C2N=NN=N2)C1
InChIInChI=1S/C11H9N4S/c1-2-6-9-8(4-1)5-3-7-10(9)16-11-12-14-15-13-11/h1-6,10H,7H2
InChIKeyWSPOBYWDELWRFR-UHFFFAOYSA-N
MW229.29 g/mol
LogP3.80
Rot. Bonds1

About 5H-Tetrazole-5-thione,1,2-dihydro-1-(1-naphthalenyl)-

5H-Tetrazole-5-thione,1,2-dihydro-1-(1-naphthalenyl)- (PubChem CID 167996619) has the molecular formula C11H9N4S and a molecular weight of 229.29 g/mol.

Molecular Properties

Compound Name5H-Tetrazole-5-thione,1,2-dihydro-1-(1-naphthalenyl)-
PubChem CID167996619
Molecular FormulaC11H9N4S
Molecular Weight229.29 g/mol
Exact Mass229.05
IUPAC Name—
SMILESC1=Cc2ccccc2C([S]=C2N=NN=N2)C1
InChIInChI=1S/C11H9N4S/c1-2-6-9-8(4-1)5-3-7-10(9)16-11-12-14-15-13-11/h1-6,10H,7H2
InChIKeyWSPOBYWDELWRFR-UHFFFAOYSA-N
XLogP3.80
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,2-dihydronaphthalen-1-ylphosphane
CID 154530712
(5S,6R)-6-methyl-6,7-dihydro-5H-benzo[7]annulen-5-olate
CID 164667977
3-(1,2-dihydronaphthalen-1-yl)pyrrolidine
CID 19043208
methyl 1,2-dihydronaphthalene-1-carboxylate
CID 15368519
(1R)-1,2-dihydronaphthalen-1-ol;4-methylphenol
CID 142060836
4-chlorophenol;1,2-dihydronaphthalen-1-ol
CID 142060832
1-chloro-1,2-dideuterio-2H-naphthalene
CID 175703801
4-(1,2-dihydronaphthalen-1-yl)-N-(4-phenylphenyl)aniline
CID 166860816
(6S)-6-methyl-6,7-dihydrobenzo[7]annulen-5-one
CID 130653450
(1R,2R)-2-methyl-1,2-dihydronaphthalen-1-ol
CID 11252162
(1R,2S)-2-methyl-1,2-dihydronaphthalen-1-ol
CID 13056069
2-cyclohexyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene
CID 134854212

Frequently Asked Questions

What is the IUPAC name of 5H-Tetrazole-5-thione,1,2-dihydro-1-(1-naphthalenyl)-?
The IUPAC name of 5H-Tetrazole-5-thione,1,2-dihydro-1-(1-naphthalenyl)- (CID 167996619) is not available.
What is the SMILES notation for 5H-Tetrazole-5-thione,1,2-dihydro-1-(1-naphthalenyl)-?
The canonical SMILES for 5H-Tetrazole-5-thione,1,2-dihydro-1-(1-naphthalenyl)- is C1=Cc2ccccc2C([S]=C2N=NN=N2)C1.
What is the InChIKey of 5H-Tetrazole-5-thione,1,2-dihydro-1-(1-naphthalenyl)-?
The InChIKey is WSPOBYWDELWRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N4S/c1-2-6-9-8(4-1)5-3-7-10(9)16-11-12-14-15-13-11/h1-6,10H,7H2.
What are the key properties of 5H-Tetrazole-5-thione,1,2-dihydro-1-(1-naphthalenyl)-?
5H-Tetrazole-5-thione,1,2-dihydro-1-(1-naphthalenyl)- has a molecular weight of 229.29 g/mol, XLogP of 3.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5H-Tetrazole-5-thione,1,2-dihydro-1-(1-naphthalenyl)- is sourced from PubChem (CID 167996619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).