4-[(Z)-naphthalen-1-ylmethylideneamino]-1,2,4-triazolidine-3,5-dithione

C13H10N4S2 — CID 9295030

IUPAC4-[(Z)-naphthalen-1-ylmethylideneamino]-1,2,4-triazolidine-3,5-dithione
SMILESS=c1[nH][nH]c(=S)n1/N=C\c1cccc2ccccc12
InChIInChI=1S/C13H10N4S2/c18-12-15-16-13(19)17(12)14-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-8H,(H,15,18)(H,16,19)/b14-8-
InChIKeyHZZDNXSWAPRBII-ZSOIEALJSA-N
MW286.39 g/mol
LogP3.64
Rot. Bonds2

About 4-[(Z)-naphthalen-1-ylmethylideneamino]-1,2,4-triazolidine-3,5-dithione

4-[(Z)-naphthalen-1-ylmethylideneamino]-1,2,4-triazolidine-3,5-dithione (PubChem CID 9295030) has the molecular formula C13H10N4S2 and a molecular weight of 286.39 g/mol. Its IUPAC name is 4-[(Z)-naphthalen-1-ylmethylideneamino]-1,2,4-triazolidine-3,5-dithione.

Molecular Properties

Compound Name4-[(Z)-naphthalen-1-ylmethylideneamino]-1,2,4-triazolidine-3,5-dithione
PubChem CID9295030
Molecular FormulaC13H10N4S2
Molecular Weight286.39 g/mol
Exact Mass286.03
IUPAC Name4-[(Z)-naphthalen-1-ylmethylideneamino]-1,2,4-triazolidine-3,5-dithione
SMILESS=c1[nH][nH]c(=S)n1/N=C\c1cccc2ccccc12
InChIInChI=1S/C13H10N4S2/c18-12-15-16-13(19)17(12)14-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-8H,(H,15,18)(H,16,19)/b14-8-
InChIKeyHZZDNXSWAPRBII-ZSOIEALJSA-N
XLogP3.64
TPSA48.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.39
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

3-cyclopropyl-4-[(Z)-naphthalen-1-ylmethylideneamino]-1H-1,2,4-triazole-5-thione
CID 9358008
3-(2-bromophenyl)-4-(naphthalen-1-ylmethylideneamino)-1H-1,2,4-triazole-5-thione
CID 2174914
2-[4-[(E)-naphthalen-1-ylmethylideneamino]-5-sulfanylidene-1H-1,2,4-triazol-3-yl]acetonitrile
CID 138757018
3-(3-methylphenyl)-4-[(Z)-naphthalen-1-ylmethylideneamino]-1H-1,2,4-triazole-5-thione
CID 6154475
4-[(Z)-naphthalen-1-ylmethylideneamino]-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione
CID 5390412
(E)-N-[4,6-bis[(E)-naphthalen-1-ylmethylideneamino]-1,3,5-triazin-2-yl]-1-naphthalen-1-ylmethanimine
CID 22086741
1-naphthalen-1-yl-N-phenylmethanimine
CID 615538
4-[(Z)-(2-ethoxyphenyl)methylideneamino]-3-(naphthalen-1-ylmethyl)-1H-1,2,4-triazole-5-thione
CID 7992366
1-(naphthalen-1-ylmethylideneamino)tetrazol-5-amine
CID 3517889
(E)-N-(5-methyl-5H-1,2-oxazol-2-yl)-1-naphthalen-1-ylmethanimine
CID 71595317
1-naphthalen-1-yl-N-propan-2-ylmethanimine
CID 10352682
N-[(E)-naphthalen-1-ylmethylideneamino]methanamine
CID 110337745

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-naphthalen-1-ylmethylideneamino]-1,2,4-triazolidine-3,5-dithione?
The IUPAC name of 4-[(Z)-naphthalen-1-ylmethylideneamino]-1,2,4-triazolidine-3,5-dithione (CID 9295030) is 4-[(Z)-naphthalen-1-ylmethylideneamino]-1,2,4-triazolidine-3,5-dithione.
What is the SMILES notation for 4-[(Z)-naphthalen-1-ylmethylideneamino]-1,2,4-triazolidine-3,5-dithione?
The canonical SMILES for 4-[(Z)-naphthalen-1-ylmethylideneamino]-1,2,4-triazolidine-3,5-dithione is S=c1[nH][nH]c(=S)n1/N=C\c1cccc2ccccc12.
What is the InChIKey of 4-[(Z)-naphthalen-1-ylmethylideneamino]-1,2,4-triazolidine-3,5-dithione?
The InChIKey is HZZDNXSWAPRBII-ZSOIEALJSA-N. The full InChI is InChI=1S/C13H10N4S2/c18-12-15-16-13(19)17(12)14-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-8H,(H,15,18)(H,16,19)/b14-8-.
What are the key properties of 4-[(Z)-naphthalen-1-ylmethylideneamino]-1,2,4-triazolidine-3,5-dithione?
4-[(Z)-naphthalen-1-ylmethylideneamino]-1,2,4-triazolidine-3,5-dithione has a molecular weight of 286.39 g/mol, XLogP of 3.64, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-naphthalen-1-ylmethylideneamino]-1,2,4-triazolidine-3,5-dithione is sourced from PubChem (CID 9295030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).