3-ethylsulfanyl-6-prop-2-enylsulfanylpyridazine

C9H12N2S2 — CID 86061224

IUPAC3-ethylsulfanyl-6-prop-2-enylsulfanylpyridazine
SMILESC=CCSc1ccc(SCC)nn1
InChIInChI=1S/C9H12N2S2/c1-3-7-13-9-6-5-8(10-11-9)12-4-2/h3,5-6H,1,4,7H2,2H3
InChIKeyDODZZALIXBXUFW-UHFFFAOYSA-N
MW212.34 g/mol
LogP2.87
Rot. Bonds5

About 3-ethylsulfanyl-6-prop-2-enylsulfanylpyridazine

3-ethylsulfanyl-6-prop-2-enylsulfanylpyridazine (PubChem CID 86061224) has the molecular formula C9H12N2S2 and a molecular weight of 212.34 g/mol. Its IUPAC name is 3-ethylsulfanyl-6-prop-2-enylsulfanylpyridazine.

Molecular Properties

Compound Name3-ethylsulfanyl-6-prop-2-enylsulfanylpyridazine
PubChem CID86061224
Molecular FormulaC9H12N2S2
Molecular Weight212.34 g/mol
Exact Mass212.04
IUPAC Name3-ethylsulfanyl-6-prop-2-enylsulfanylpyridazine
SMILESC=CCSc1ccc(SCC)nn1
InChIInChI=1S/C9H12N2S2/c1-3-7-13-9-6-5-8(10-11-9)12-4-2/h3,5-6H,1,4,7H2,2H3
InChIKeyDODZZALIXBXUFW-UHFFFAOYSA-N
XLogP2.87
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,6-Bis(methylthio)pyridazine
CID 99386
3-(Methylsulfanyl)pyridazine
CID 292491
3-Prop-2-enylselanyl-6-propylsulfonylpyridazine
CID 168272616
3-[(Prop-2-en-1-yl)sulfanyl]pyridazine
CID 21217663
3-Chloro-6-[(prop-2-en-1-yl)sulfanyl]pyridazine
CID 21217667
3-(Methylsulfanyl)-6-[(prop-2-en-1-yl)sulfanyl]pyridazine
CID 71414055
3-Propylthio-6-allylthio-pyridazine
CID 86061225
2,6,11,15-Tetrathia-8,9,17,18-tetrazatricyclo[14.2.2.27,10]docosa-1(18),7,9,16,19,21-hexaene
CID 380480
2,5,9,12-Tetrathia-14,15-diazabicyclo[11.2.2]heptadeca-1(15),13,16-triene
CID 382156
2,5,8,13,16,19-Hexathia-10,11,21,22-tetrazatricyclo[18.2.2.29,12]hexacosa-1(22),9,11,20,23,25-hexaene
CID 382157
2,5,8,11,16,19,22,25-Octathia-13,14,27,28-tetrazatricyclo[24.2.2.212,15]dotriaconta-1(28),12,14,26,29,31-hexaene
CID 382158
3-Chloro-6-(propan-2-ylsulfanyl)pyridazine
CID 22425634

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-6-prop-2-enylsulfanylpyridazine?
The IUPAC name of 3-ethylsulfanyl-6-prop-2-enylsulfanylpyridazine (CID 86061224) is 3-ethylsulfanyl-6-prop-2-enylsulfanylpyridazine.
What is the SMILES notation for 3-ethylsulfanyl-6-prop-2-enylsulfanylpyridazine?
The canonical SMILES for 3-ethylsulfanyl-6-prop-2-enylsulfanylpyridazine is C=CCSc1ccc(SCC)nn1.
What is the InChIKey of 3-ethylsulfanyl-6-prop-2-enylsulfanylpyridazine?
The InChIKey is DODZZALIXBXUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2S2/c1-3-7-13-9-6-5-8(10-11-9)12-4-2/h3,5-6H,1,4,7H2,2H3.
What are the key properties of 3-ethylsulfanyl-6-prop-2-enylsulfanylpyridazine?
3-ethylsulfanyl-6-prop-2-enylsulfanylpyridazine has a molecular weight of 212.34 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-6-prop-2-enylsulfanylpyridazine is sourced from PubChem (CID 86061224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).