[6-(3-bromophenyl)sulfanyl-2-methylsulfanylpyrimidin-4-yl]hydrazine

C11H11BrN4S2 — CID 80929840

IUPAC[6-(3-bromophenyl)sulfanyl-2-methylsulfanylpyrimidin-4-yl]hydrazine
SMILESCSc1nc(NN)cc(Sc2cccc(Br)c2)n1
InChIInChI=1S/C11H11BrN4S2/c1-17-11-14-9(16-13)6-10(15-11)18-8-4-2-3-7(12)5-8/h2-6H,13H2,1H3,(H,14,15,16)
InChIKeyTWFOPLHPSQGTNO-UHFFFAOYSA-N
MW343.28 g/mol
LogP3.40
Rot. Bonds4

About [6-(3-bromophenyl)sulfanyl-2-methylsulfanylpyrimidin-4-yl]hydrazine

[6-(3-bromophenyl)sulfanyl-2-methylsulfanylpyrimidin-4-yl]hydrazine (PubChem CID 80929840) has the molecular formula C11H11BrN4S2 and a molecular weight of 343.28 g/mol. Its IUPAC name is [6-(3-bromophenyl)sulfanyl-2-methylsulfanylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(3-bromophenyl)sulfanyl-2-methylsulfanylpyrimidin-4-yl]hydrazine
PubChem CID80929840
Molecular FormulaC11H11BrN4S2
Molecular Weight343.28 g/mol
Exact Mass341.96
IUPAC Name[6-(3-bromophenyl)sulfanyl-2-methylsulfanylpyrimidin-4-yl]hydrazine
SMILESCSc1nc(NN)cc(Sc2cccc(Br)c2)n1
InChIInChI=1S/C11H11BrN4S2/c1-17-11-14-9(16-13)6-10(15-11)18-8-4-2-3-7(12)5-8/h2-6H,13H2,1H3,(H,14,15,16)
InChIKeyTWFOPLHPSQGTNO-UHFFFAOYSA-N
XLogP3.40
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.28
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[6-(3-bromophenyl)sulfanyl-2-propylpyrimidin-4-yl]hydrazine
CID 80947692
[2-methylsulfanyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-4-yl]hydrazine
CID 80929796
6-(3-chlorophenyl)sulfanyl-N-ethyl-2-methylsulfanylpyrimidin-4-amine
CID 80892361
6-(3-bromophenyl)sulfanylpyridin-2-amine
CID 80652450
[6-(1H-indol-2-ylsulfanyl)-2-methylsulfanylpyrimidin-4-yl]hydrazine
CID 80927316
6-(3-bromophenyl)sulfanyl-N-ethyl-2-methylpyrimidin-4-amine
CID 80889647
6-(3-methylphenyl)sulfanyl-2-methylsulfanyl-N-propylpyrimidin-4-amine
CID 80885590
[6-(3-chlorophenyl)sulfanyl-2-ethylpyrimidin-4-yl]hydrazine
CID 80939919
N-(4-bromo-3-chlorophenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 107617990
2-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one
CID 80924203
[2-methylsulfanyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidin-4-yl]hydrazine
CID 80920019
N-(5-chloro-2-fluorophenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 80906036

Frequently Asked Questions

What is the IUPAC name of [6-(3-bromophenyl)sulfanyl-2-methylsulfanylpyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(3-bromophenyl)sulfanyl-2-methylsulfanylpyrimidin-4-yl]hydrazine (CID 80929840) is [6-(3-bromophenyl)sulfanyl-2-methylsulfanylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(3-bromophenyl)sulfanyl-2-methylsulfanylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(3-bromophenyl)sulfanyl-2-methylsulfanylpyrimidin-4-yl]hydrazine is CSc1nc(NN)cc(Sc2cccc(Br)c2)n1.
What is the InChIKey of [6-(3-bromophenyl)sulfanyl-2-methylsulfanylpyrimidin-4-yl]hydrazine?
The InChIKey is TWFOPLHPSQGTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4S2/c1-17-11-14-9(16-13)6-10(15-11)18-8-4-2-3-7(12)5-8/h2-6H,13H2,1H3,(H,14,15,16).
What are the key properties of [6-(3-bromophenyl)sulfanyl-2-methylsulfanylpyrimidin-4-yl]hydrazine?
[6-(3-bromophenyl)sulfanyl-2-methylsulfanylpyrimidin-4-yl]hydrazine has a molecular weight of 343.28 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-bromophenyl)sulfanyl-2-methylsulfanylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80929840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).