(1-tert-butylsulfanyl-3-methylbut-3-en-2-yl)hydrazine

C9H20N2S — CID 105226584

IUPAC(1-tert-butylsulfanyl-3-methylbut-3-en-2-yl)hydrazine
SMILESC=C(C)C(CSC(C)(C)C)NN
InChIInChI=1S/C9H20N2S/c1-7(2)8(11-10)6-12-9(3,4)5/h8,11H,1,6,10H2,2-5H3
InChIKeyRWSJVZNQQKCFKM-UHFFFAOYSA-N
MW188.34 g/mol
LogP1.93
Rot. Bonds4

About (1-tert-butylsulfanyl-3-methylbut-3-en-2-yl)hydrazine

(1-tert-butylsulfanyl-3-methylbut-3-en-2-yl)hydrazine (PubChem CID 105226584) has the molecular formula C9H20N2S and a molecular weight of 188.34 g/mol. Its IUPAC name is (1-tert-butylsulfanyl-3-methylbut-3-en-2-yl)hydrazine.

Molecular Properties

Compound Name(1-tert-butylsulfanyl-3-methylbut-3-en-2-yl)hydrazine
PubChem CID105226584
Molecular FormulaC9H20N2S
Molecular Weight188.34 g/mol
Exact Mass188.13
IUPAC Name(1-tert-butylsulfanyl-3-methylbut-3-en-2-yl)hydrazine
SMILESC=C(C)C(CSC(C)(C)C)NN
InChIInChI=1S/C9H20N2S/c1-7(2)8(11-10)6-12-9(3,4)5/h8,11H,1,6,10H2,2-5H3
InChIKeyRWSJVZNQQKCFKM-UHFFFAOYSA-N
XLogP1.93
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-tert-butylsulfanyl-3-methylbut-3-en-2-yl)hydrazine?
The IUPAC name of (1-tert-butylsulfanyl-3-methylbut-3-en-2-yl)hydrazine (CID 105226584) is (1-tert-butylsulfanyl-3-methylbut-3-en-2-yl)hydrazine.
What is the SMILES notation for (1-tert-butylsulfanyl-3-methylbut-3-en-2-yl)hydrazine?
The canonical SMILES for (1-tert-butylsulfanyl-3-methylbut-3-en-2-yl)hydrazine is C=C(C)C(CSC(C)(C)C)NN.
What is the InChIKey of (1-tert-butylsulfanyl-3-methylbut-3-en-2-yl)hydrazine?
The InChIKey is RWSJVZNQQKCFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2S/c1-7(2)8(11-10)6-12-9(3,4)5/h8,11H,1,6,10H2,2-5H3.
What are the key properties of (1-tert-butylsulfanyl-3-methylbut-3-en-2-yl)hydrazine?
(1-tert-butylsulfanyl-3-methylbut-3-en-2-yl)hydrazine has a molecular weight of 188.34 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tert-butylsulfanyl-3-methylbut-3-en-2-yl)hydrazine is sourced from PubChem (CID 105226584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).