potassium;S-carbamothioyl methanethioate;hydride

C2H4KNOS2 — CID 175323485

IUPACpotassium;S-carbamothioyl methanethioate;hydride
SMILESNC(=S)SC=O.[H-].[K+]
InChIInChI=1S/C2H3NOS2.K.H/c3-2(5)6-1-4;;/h1H,(H2,3,5);;/q;+1;-1
InChIKeyZGWRHGMSQGVVDX-UHFFFAOYSA-N
MW161.29 g/mol
LogP-2.73
Rot. Bonds1

About potassium;S-carbamothioyl methanethioate;hydride

potassium;S-carbamothioyl methanethioate;hydride (PubChem CID 175323485) has the molecular formula C2H4KNOS2 and a molecular weight of 161.29 g/mol. Its IUPAC name is potassium;S-carbamothioyl methanethioate;hydride.

Molecular Properties

Compound Namepotassium;S-carbamothioyl methanethioate;hydride
PubChem CID175323485
Molecular FormulaC2H4KNOS2
Molecular Weight161.29 g/mol
Exact Mass160.94
IUPAC Namepotassium;S-carbamothioyl methanethioate;hydride
SMILESNC(=S)SC=O.[H-].[K+]
InChIInChI=1S/C2H3NOS2.K.H/c3-2(5)6-1-4;;/h1H,(H2,3,5);;/q;+1;-1
InChIKeyZGWRHGMSQGVVDX-UHFFFAOYSA-N
XLogP-2.73
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.29
LogP ≤ 5-2.73
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

magnesium;S-carbamothioyl methanethioate;hydride
CID 174926417
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
methyl carbamodithioate;silver
CID 174849393
sodium;(ethylideneamino) carbamodithioate;hydride
CID 175024199
sodium;carbamodithioic acid;hydride
CID 173103786
potassium;carbamoyl formate;hydride
CID 174868765
thiourea;urea
CID 22007323
barium(2+);carbamodithioic acid;hydride
CID 174258632

Frequently Asked Questions

What is the IUPAC name of potassium;S-carbamothioyl methanethioate;hydride?
The IUPAC name of potassium;S-carbamothioyl methanethioate;hydride (CID 175323485) is potassium;S-carbamothioyl methanethioate;hydride.
What is the SMILES notation for potassium;S-carbamothioyl methanethioate;hydride?
The canonical SMILES for potassium;S-carbamothioyl methanethioate;hydride is NC(=S)SC=O.[H-].[K+].
What is the InChIKey of potassium;S-carbamothioyl methanethioate;hydride?
The InChIKey is ZGWRHGMSQGVVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3NOS2.K.H/c3-2(5)6-1-4;;/h1H,(H2,3,5);;/q;+1;-1.
What are the key properties of potassium;S-carbamothioyl methanethioate;hydride?
potassium;S-carbamothioyl methanethioate;hydride has a molecular weight of 161.29 g/mol, XLogP of -2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;S-carbamothioyl methanethioate;hydride is sourced from PubChem (CID 175323485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).