magnesium;S-carbamothioyl methanethioate;hydride

C2H5MgNOS2 — CID 174926417

IUPACmagnesium;S-carbamothioyl methanethioate;hydride
SMILESNC(=S)SC=O.[H-].[H-].[Mg+2]
InChIInChI=1S/C2H3NOS2.Mg.2H/c3-2(5)6-1-4;;;/h1H,(H2,3,5);;;/q;+2;2*-1
InChIKeyQTMASHQKYMPXDG-UHFFFAOYSA-N
MW147.51 g/mol
LogP-0.00
Rot. Bonds1

About magnesium;S-carbamothioyl methanethioate;hydride

magnesium;S-carbamothioyl methanethioate;hydride (PubChem CID 174926417) has the molecular formula C2H5MgNOS2 and a molecular weight of 147.51 g/mol. Its IUPAC name is magnesium;S-carbamothioyl methanethioate;hydride.

Molecular Properties

Compound Namemagnesium;S-carbamothioyl methanethioate;hydride
PubChem CID174926417
Molecular FormulaC2H5MgNOS2
Molecular Weight147.51 g/mol
Exact Mass146.97
IUPAC Namemagnesium;S-carbamothioyl methanethioate;hydride
SMILESNC(=S)SC=O.[H-].[H-].[Mg+2]
InChIInChI=1S/C2H3NOS2.Mg.2H/c3-2(5)6-1-4;;;/h1H,(H2,3,5);;;/q;+2;2*-1
InChIKeyQTMASHQKYMPXDG-UHFFFAOYSA-N
XLogP-0.00
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.51
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

potassium;S-carbamothioyl methanethioate;hydride
CID 175323485
S-[(Z)-1-amino-1-oxobut-2-en-2-yl] methanethioate
CID 142844794
3-oxopropyl carbamodithioate
CID 55290322
beryllium;hydride;thiourea
CID 174830169
2-carbamothioylsulfanylethyl carbamodithioate;ethene
CID 157163681
carbamothioyl formate
CID 18693035
magnesium;hydride;propyl carbamodithioate
CID 174927157
methyl carbamodithioate;silver
CID 174849393
sodium;(ethylideneamino) carbamodithioate;hydride
CID 175024199
thiourea;urea
CID 22007323
sodium;carbamodithioic acid;hydride
CID 173103786
barium(2+);carbamodithioic acid;hydride
CID 174258632

Frequently Asked Questions

What is the IUPAC name of magnesium;S-carbamothioyl methanethioate;hydride?
The IUPAC name of magnesium;S-carbamothioyl methanethioate;hydride (CID 174926417) is magnesium;S-carbamothioyl methanethioate;hydride.
What is the SMILES notation for magnesium;S-carbamothioyl methanethioate;hydride?
The canonical SMILES for magnesium;S-carbamothioyl methanethioate;hydride is NC(=S)SC=O.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;S-carbamothioyl methanethioate;hydride?
The InChIKey is QTMASHQKYMPXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3NOS2.Mg.2H/c3-2(5)6-1-4;;;/h1H,(H2,3,5);;;/q;+2;2*-1.
What are the key properties of magnesium;S-carbamothioyl methanethioate;hydride?
magnesium;S-carbamothioyl methanethioate;hydride has a molecular weight of 147.51 g/mol, XLogP of -0.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;S-carbamothioyl methanethioate;hydride is sourced from PubChem (CID 174926417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).