zinc;carbanide;2-methylpropane-2-thiol

C6H16SZn — CID 23299034

IUPACzinc;carbanide;2-methylpropane-2-thiol
SMILESCC(C)(C)S.[CH3-].[CH3-].[Zn+2]
InChIInChI=1S/C4H10S.2CH3.Zn/c1-4(2,3)5;;;/h5H,1-3H3;2*1H3;/q;2*-1;+2
InChIKeySSLBDYPXMZQRHA-UHFFFAOYSA-N
MW185.65 g/mol
LogP2.61
Rot. Bonds

About zinc;carbanide;2-methylpropane-2-thiol

zinc;carbanide;2-methylpropane-2-thiol (PubChem CID 23299034) has the molecular formula C6H16SZn and a molecular weight of 185.65 g/mol. Its IUPAC name is zinc;carbanide;2-methylpropane-2-thiol.

Molecular Properties

Compound Namezinc;carbanide;2-methylpropane-2-thiol
PubChem CID23299034
Molecular FormulaC6H16SZn
Molecular Weight185.65 g/mol
Exact Mass184.03
IUPAC Namezinc;carbanide;2-methylpropane-2-thiol
SMILESCC(C)(C)S.[CH3-].[CH3-].[Zn+2]
InChIInChI=1S/C4H10S.2CH3.Zn/c1-4(2,3)5;;;/h5H,1-3H3;2*1H3;/q;2*-1;+2
InChIKeySSLBDYPXMZQRHA-UHFFFAOYSA-N
XLogP2.61
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.65
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of zinc;carbanide;2-methylpropane-2-thiol?
The IUPAC name of zinc;carbanide;2-methylpropane-2-thiol (CID 23299034) is zinc;carbanide;2-methylpropane-2-thiol.
What is the SMILES notation for zinc;carbanide;2-methylpropane-2-thiol?
The canonical SMILES for zinc;carbanide;2-methylpropane-2-thiol is CC(C)(C)S.[CH3-].[CH3-].[Zn+2].
What is the InChIKey of zinc;carbanide;2-methylpropane-2-thiol?
The InChIKey is SSLBDYPXMZQRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10S.2CH3.Zn/c1-4(2,3)5;;;/h5H,1-3H3;2*1H3;/q;2*-1;+2.
What are the key properties of zinc;carbanide;2-methylpropane-2-thiol?
zinc;carbanide;2-methylpropane-2-thiol has a molecular weight of 185.65 g/mol, XLogP of 2.61, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;carbanide;2-methylpropane-2-thiol is sourced from PubChem (CID 23299034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).