2,5-dimethyl-4-(2-propylphenyl)sulfanylbenzenediazonium

C17H19N2S+ — CID 20720498

IUPAC2,5-dimethyl-4-(2-propylphenyl)sulfanylbenzenediazonium
SMILESCCCc1ccccc1Sc1cc(C)c([N+]#N)cc1C
InChIInChI=1S/C17H19N2S/c1-4-7-14-8-5-6-9-16(14)20-17-11-12(2)15(19-18)10-13(17)3/h5-6,8-11H,4,7H2,1-3H3/q+1
InChIKeyKGPKKBHFADYXPV-UHFFFAOYSA-N
MW283.42 g/mol
LogP5.89
Rot. Bonds4

About 2,5-dimethyl-4-(2-propylphenyl)sulfanylbenzenediazonium

2,5-dimethyl-4-(2-propylphenyl)sulfanylbenzenediazonium (PubChem CID 20720498) has the molecular formula C17H19N2S+ and a molecular weight of 283.42 g/mol. Its IUPAC name is 2,5-dimethyl-4-(2-propylphenyl)sulfanylbenzenediazonium.

Molecular Properties

Compound Name2,5-dimethyl-4-(2-propylphenyl)sulfanylbenzenediazonium
PubChem CID20720498
Molecular FormulaC17H19N2S+
Molecular Weight283.42 g/mol
Exact Mass283.13
IUPAC Name2,5-dimethyl-4-(2-propylphenyl)sulfanylbenzenediazonium
SMILESCCCc1ccccc1Sc1cc(C)c([N+]#N)cc1C
InChIInChI=1S/C17H19N2S/c1-4-7-14-8-5-6-9-16(14)20-17-11-12(2)15(19-18)10-13(17)3/h5-6,8-11H,4,7H2,1-3H3/q+1
InChIKeyKGPKKBHFADYXPV-UHFFFAOYSA-N
XLogP5.89
TPSA28.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.42
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,5-dimethyl-4-[2-[(4-methylphenyl)sulfonyloxyamino]phenyl]sulfanylbenzenediazonium
CID 59109736
(2-propylphenyl) thiohypochlorite
CID 144705767
nickel;1-octyl-2-(2-octylphenyl)sulfanylbenzene
CID 87071455
1-ethyl-2-(2-ethylphenyl)sulfanylbenzene
CID 19792412
1-(2-fluoroethoxysulfanyl)-2-propylbenzene
CID 91479976
4-[2-(2,4-dimethylphenyl)sulfanylphenyl]-N-propylbutan-1-amine
CID 166154080
diethyl 2-(2-propylphenyl)sulfanylpropanedioate
CID 70068030
N-[[2-(2,5-dimethylphenyl)sulfanylphenyl]methyl]propan-1-amine
CID 63806875
2-methyl-1-(2-methyl-4-propylphenyl)sulfanyl-4-propylbenzene
CID 54545030
[2-(3,4-dimethylphenyl)sulfanylphenyl]methanamine
CID 43528946
2-dodecylbenzenediazonium
CID 22595305
CID 172616532
CID 172616532

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-(2-propylphenyl)sulfanylbenzenediazonium?
The IUPAC name of 2,5-dimethyl-4-(2-propylphenyl)sulfanylbenzenediazonium (CID 20720498) is 2,5-dimethyl-4-(2-propylphenyl)sulfanylbenzenediazonium.
What is the SMILES notation for 2,5-dimethyl-4-(2-propylphenyl)sulfanylbenzenediazonium?
The canonical SMILES for 2,5-dimethyl-4-(2-propylphenyl)sulfanylbenzenediazonium is CCCc1ccccc1Sc1cc(C)c([N+]#N)cc1C.
What is the InChIKey of 2,5-dimethyl-4-(2-propylphenyl)sulfanylbenzenediazonium?
The InChIKey is KGPKKBHFADYXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N2S/c1-4-7-14-8-5-6-9-16(14)20-17-11-12(2)15(19-18)10-13(17)3/h5-6,8-11H,4,7H2,1-3H3/q+1.
What are the key properties of 2,5-dimethyl-4-(2-propylphenyl)sulfanylbenzenediazonium?
2,5-dimethyl-4-(2-propylphenyl)sulfanylbenzenediazonium has a molecular weight of 283.42 g/mol, XLogP of 5.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-(2-propylphenyl)sulfanylbenzenediazonium is sourced from PubChem (CID 20720498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).