(3-butan-2-ylsulfanyl-2-nitrophenyl)hydrazine

C10H15N3O2S — CID 80925330

IUPAC(3-butan-2-ylsulfanyl-2-nitrophenyl)hydrazine
SMILESCCC(C)Sc1cccc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C10H15N3O2S/c1-3-7(2)16-9-6-4-5-8(12-11)10(9)13(14)15/h4-7,12H,3,11H2,1-2H3
InChIKeyCSGKTYILQSRCLQ-UHFFFAOYSA-N
MW241.32 g/mol
LogP2.77
Rot. Bonds5

About (3-butan-2-ylsulfanyl-2-nitrophenyl)hydrazine

(3-butan-2-ylsulfanyl-2-nitrophenyl)hydrazine (PubChem CID 80925330) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is (3-butan-2-ylsulfanyl-2-nitrophenyl)hydrazine.

Molecular Properties

Compound Name(3-butan-2-ylsulfanyl-2-nitrophenyl)hydrazine
PubChem CID80925330
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name(3-butan-2-ylsulfanyl-2-nitrophenyl)hydrazine
SMILESCCC(C)Sc1cccc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C10H15N3O2S/c1-3-7(2)16-9-6-4-5-8(12-11)10(9)13(14)15/h4-7,12H,3,11H2,1-2H3
InChIKeyCSGKTYILQSRCLQ-UHFFFAOYSA-N
XLogP2.77
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 115549428
2-(3-hydrazinyl-2-nitrophenyl)sulfanylethanol
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CID 107647332
[3-(2-chlorophenyl)sulfanyl-2-nitrophenyl]hydrazine
CID 80921971
3-hydrazinyl-N-(3-methylbutyl)-2-nitroaniline
CID 80931845
2-(3-hydrazinyl-2-nitroanilino)-N-propan-2-ylacetamide
CID 80907483
3-(3-hydrazinyl-2-nitroanilino)-2-methylsulfanylbutan-1-ol
CID 106163685
[3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-nitrophenyl]hydrazine
CID 80923605
3-hydrazinyl-N-(4-methylpentyl)-2-nitroaniline
CID 80914228
(3-methoxy-2-nitrophenyl)hydrazine
CID 80909118
3-hydrazinyl-N-(2-hydroxypropyl)-N-methyl-2-nitrobenzamide
CID 115549585
3-hydrazinyl-N-(5-methylhexyl)-2-nitroaniline
CID 115327795

Frequently Asked Questions

What is the IUPAC name of (3-butan-2-ylsulfanyl-2-nitrophenyl)hydrazine?
The IUPAC name of (3-butan-2-ylsulfanyl-2-nitrophenyl)hydrazine (CID 80925330) is (3-butan-2-ylsulfanyl-2-nitrophenyl)hydrazine.
What is the SMILES notation for (3-butan-2-ylsulfanyl-2-nitrophenyl)hydrazine?
The canonical SMILES for (3-butan-2-ylsulfanyl-2-nitrophenyl)hydrazine is CCC(C)Sc1cccc(NN)c1[N+](=O)[O-].
What is the InChIKey of (3-butan-2-ylsulfanyl-2-nitrophenyl)hydrazine?
The InChIKey is CSGKTYILQSRCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-3-7(2)16-9-6-4-5-8(12-11)10(9)13(14)15/h4-7,12H,3,11H2,1-2H3.
What are the key properties of (3-butan-2-ylsulfanyl-2-nitrophenyl)hydrazine?
(3-butan-2-ylsulfanyl-2-nitrophenyl)hydrazine has a molecular weight of 241.32 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-butan-2-ylsulfanyl-2-nitrophenyl)hydrazine is sourced from PubChem (CID 80925330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).