2-[2-(3,3-dimethylbutan-2-ylidene)hydrazinyl]propane-1-thiol

C9H20N2S — CID 23261380

IUPAC2-[2-(3,3-dimethylbutan-2-ylidene)hydrazinyl]propane-1-thiol
SMILESCC(=NNC(C)CS)C(C)(C)C
InChIInChI=1S/C9H20N2S/c1-7(6-12)10-11-8(2)9(3,4)5/h7,10,12H,6H2,1-5H3
InChIKeyVGTWDBZLWDPSLK-UHFFFAOYSA-N
MW188.34 g/mol
LogP2.32
Rot. Bonds3

About 2-[2-(3,3-dimethylbutan-2-ylidene)hydrazinyl]propane-1-thiol

2-[2-(3,3-dimethylbutan-2-ylidene)hydrazinyl]propane-1-thiol (PubChem CID 23261380) has the molecular formula C9H20N2S and a molecular weight of 188.34 g/mol. Its IUPAC name is 2-[2-(3,3-dimethylbutan-2-ylidene)hydrazinyl]propane-1-thiol.

Molecular Properties

Compound Name2-[2-(3,3-dimethylbutan-2-ylidene)hydrazinyl]propane-1-thiol
PubChem CID23261380
Molecular FormulaC9H20N2S
Molecular Weight188.34 g/mol
Exact Mass188.13
IUPAC Name2-[2-(3,3-dimethylbutan-2-ylidene)hydrazinyl]propane-1-thiol
SMILESCC(=NNC(C)CS)C(C)(C)C
InChIInChI=1S/C9H20N2S/c1-7(6-12)10-11-8(2)9(3,4)5/h7,10,12H,6H2,1-5H3
InChIKeyVGTWDBZLWDPSLK-UHFFFAOYSA-N
XLogP2.32
TPSA24.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,3-dimethylbutan-2-ylidene)hydrazinyl]propane-1-thiol?
The IUPAC name of 2-[2-(3,3-dimethylbutan-2-ylidene)hydrazinyl]propane-1-thiol (CID 23261380) is 2-[2-(3,3-dimethylbutan-2-ylidene)hydrazinyl]propane-1-thiol.
What is the SMILES notation for 2-[2-(3,3-dimethylbutan-2-ylidene)hydrazinyl]propane-1-thiol?
The canonical SMILES for 2-[2-(3,3-dimethylbutan-2-ylidene)hydrazinyl]propane-1-thiol is CC(=NNC(C)CS)C(C)(C)C.
What is the InChIKey of 2-[2-(3,3-dimethylbutan-2-ylidene)hydrazinyl]propane-1-thiol?
The InChIKey is VGTWDBZLWDPSLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2S/c1-7(6-12)10-11-8(2)9(3,4)5/h7,10,12H,6H2,1-5H3.
What are the key properties of 2-[2-(3,3-dimethylbutan-2-ylidene)hydrazinyl]propane-1-thiol?
2-[2-(3,3-dimethylbutan-2-ylidene)hydrazinyl]propane-1-thiol has a molecular weight of 188.34 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,3-dimethylbutan-2-ylidene)hydrazinyl]propane-1-thiol is sourced from PubChem (CID 23261380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).