azane;2-methylpropane-2-thiol

C4H13NS — CID 87874435

IUPACazane;2-methylpropane-2-thiol
SMILESCC(C)(C)S.N
InChIInChI=1S/C4H10S.H3N/c1-4(2,3)5;/h5H,1-3H3;1H3
InChIKeyHPFCCDFCRXTBBE-UHFFFAOYSA-N
MW107.22 g/mol
LogP1.88
Rot. Bonds

About azane;2-methylpropane-2-thiol

azane;2-methylpropane-2-thiol (PubChem CID 87874435) has the molecular formula C4H13NS and a molecular weight of 107.22 g/mol. Its IUPAC name is azane;2-methylpropane-2-thiol.

Molecular Properties

Compound Nameazane;2-methylpropane-2-thiol
PubChem CID87874435
Molecular FormulaC4H13NS
Molecular Weight107.22 g/mol
Exact Mass107.08
IUPAC Nameazane;2-methylpropane-2-thiol
SMILESCC(C)(C)S.N
InChIInChI=1S/C4H10S.H3N/c1-4(2,3)5;/h5H,1-3H3;1H3
InChIKeyHPFCCDFCRXTBBE-UHFFFAOYSA-N
XLogP1.88
TPSA35.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.22
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of azane;2-methylpropane-2-thiol?
The IUPAC name of azane;2-methylpropane-2-thiol (CID 87874435) is azane;2-methylpropane-2-thiol.
What is the SMILES notation for azane;2-methylpropane-2-thiol?
The canonical SMILES for azane;2-methylpropane-2-thiol is CC(C)(C)S.N.
What is the InChIKey of azane;2-methylpropane-2-thiol?
The InChIKey is HPFCCDFCRXTBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10S.H3N/c1-4(2,3)5;/h5H,1-3H3;1H3.
What are the key properties of azane;2-methylpropane-2-thiol?
azane;2-methylpropane-2-thiol has a molecular weight of 107.22 g/mol, XLogP of 1.88, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-methylpropane-2-thiol is sourced from PubChem (CID 87874435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).