(1-tert-butylsulfanyl-5,5-dimethylhexan-2-yl)hydrazine

C12H28N2S — CID 105226501

IUPAC(1-tert-butylsulfanyl-5,5-dimethylhexan-2-yl)hydrazine
SMILESCC(C)(C)CCC(CSC(C)(C)C)NN
InChIInChI=1S/C12H28N2S/c1-11(2,3)8-7-10(14-13)9-15-12(4,5)6/h10,14H,7-9,13H2,1-6H3
InChIKeyDOTRQHPCNHZLRQ-UHFFFAOYSA-N
MW232.44 g/mol
LogP3.18
Rot. Bonds5

About (1-tert-butylsulfanyl-5,5-dimethylhexan-2-yl)hydrazine

(1-tert-butylsulfanyl-5,5-dimethylhexan-2-yl)hydrazine (PubChem CID 105226501) has the molecular formula C12H28N2S and a molecular weight of 232.44 g/mol. Its IUPAC name is (1-tert-butylsulfanyl-5,5-dimethylhexan-2-yl)hydrazine.

Molecular Properties

Compound Name(1-tert-butylsulfanyl-5,5-dimethylhexan-2-yl)hydrazine
PubChem CID105226501
Molecular FormulaC12H28N2S
Molecular Weight232.44 g/mol
Exact Mass232.20
IUPAC Name(1-tert-butylsulfanyl-5,5-dimethylhexan-2-yl)hydrazine
SMILESCC(C)(C)CCC(CSC(C)(C)C)NN
InChIInChI=1S/C12H28N2S/c1-11(2,3)8-7-10(14-13)9-15-12(4,5)6/h10,14H,7-9,13H2,1-6H3
InChIKeyDOTRQHPCNHZLRQ-UHFFFAOYSA-N
XLogP3.18
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.44
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

1-tert-butylsulfanylheptan-2-ylhydrazine
CID 105226571
1-tert-butylsulfanylhept-5-yn-2-ylhydrazine
CID 105226523
[1-(4-bromophenyl)sulfanyl-5,5-dimethylhexan-2-yl]hydrazine
CID 105235987
(1-tert-butylsulfanyl-3-cyclopentylpropan-2-yl)hydrazine
CID 105226363
(5,5,5-trifluoro-1-methylsulfanylpentan-2-yl)hydrazine
CID 105213738
[1-tert-butylsulfanyl-3-(4-fluorophenyl)propan-2-yl]hydrazine
CID 105226349
[1-tert-butylsulfanyl-3-(2,6-difluorophenyl)propan-2-yl]hydrazine
CID 105226612
(1,1,1-trifluoro-6,6-dimethylheptan-4-yl)hydrazine
CID 105220163
[1-tert-butylsulfanyl-3-(1,3-thiazol-2-yl)propan-2-yl]hydrazine
CID 105226562
(1-tert-butylsulfanyl-3-thiophen-2-ylpropan-2-yl)hydrazine
CID 105226579
1-tert-butylsulfanyl-N-ethylpentan-2-amine
CID 64613643
(5,5-dimethyl-1-naphthalen-2-ylhexan-2-yl)hydrazine
CID 105300017

Frequently Asked Questions

What is the IUPAC name of (1-tert-butylsulfanyl-5,5-dimethylhexan-2-yl)hydrazine?
The IUPAC name of (1-tert-butylsulfanyl-5,5-dimethylhexan-2-yl)hydrazine (CID 105226501) is (1-tert-butylsulfanyl-5,5-dimethylhexan-2-yl)hydrazine.
What is the SMILES notation for (1-tert-butylsulfanyl-5,5-dimethylhexan-2-yl)hydrazine?
The canonical SMILES for (1-tert-butylsulfanyl-5,5-dimethylhexan-2-yl)hydrazine is CC(C)(C)CCC(CSC(C)(C)C)NN.
What is the InChIKey of (1-tert-butylsulfanyl-5,5-dimethylhexan-2-yl)hydrazine?
The InChIKey is DOTRQHPCNHZLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2S/c1-11(2,3)8-7-10(14-13)9-15-12(4,5)6/h10,14H,7-9,13H2,1-6H3.
What are the key properties of (1-tert-butylsulfanyl-5,5-dimethylhexan-2-yl)hydrazine?
(1-tert-butylsulfanyl-5,5-dimethylhexan-2-yl)hydrazine has a molecular weight of 232.44 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tert-butylsulfanyl-5,5-dimethylhexan-2-yl)hydrazine is sourced from PubChem (CID 105226501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).