dipotassium;carbamothioic S-acid;hydride

CH5K2NOS — CID 174982540

IUPACdipotassium;carbamothioic S-acid;hydride
SMILESNC(=O)S.[H-].[H-].[K+].[K+]
InChIInChI=1S/CH3NOS.2K.2H/c2-1(3)4;;;;/h(H3,2,3,4);;;;/q;2*+1;2*-1
InChIKeyFXCAMXZLSCUDPG-UHFFFAOYSA-N
MW157.32 g/mol
LogP-5.77
Rot. Bonds

About dipotassium;carbamothioic S-acid;hydride

dipotassium;carbamothioic S-acid;hydride (PubChem CID 174982540) has the molecular formula CH5K2NOS and a molecular weight of 157.32 g/mol. Its IUPAC name is dipotassium;carbamothioic S-acid;hydride.

Molecular Properties

Compound Namedipotassium;carbamothioic S-acid;hydride
PubChem CID174982540
Molecular FormulaCH5K2NOS
Molecular Weight157.32 g/mol
Exact Mass156.94
IUPAC Namedipotassium;carbamothioic S-acid;hydride
SMILESNC(=O)S.[H-].[H-].[K+].[K+]
InChIInChI=1S/CH3NOS.2K.2H/c2-1(3)4;;;;/h(H3,2,3,4);;;;/q;2*+1;2*-1
InChIKeyFXCAMXZLSCUDPG-UHFFFAOYSA-N
XLogP-5.77
TPSA43.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.32
LogP ≤ 5-5.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 87646890
CID 87646890
carbamothioic S-acid;hafnium
CID 89401322
bis(carbamothioic S-acid);hydrazine
CID 175156320
azane;carbamothioic S-acid
CID 12743068
sodium;bis(carbamothioic S-acid);ethane;hydride
CID 173033677
bis(carbamothioic S-acid);iron;methane
CID 173052593
CID 174610830
CID 174610830
bis(carbamothioic S-acid);methanethiol
CID 173288560
sodium;bis(carbamothioic S-acid);ethane;hydride;trihydrate
CID 173041470
acetamide;carbamothioic S-acid
CID 160740835
sodium;bis(carbamothioic S-acid);ethane;hydride;methanol;trihydrate
CID 174186101
sodium;bis(carbamothioic S-acid);hydride;propane
CID 173458343

Frequently Asked Questions

What is the IUPAC name of dipotassium;carbamothioic S-acid;hydride?
The IUPAC name of dipotassium;carbamothioic S-acid;hydride (CID 174982540) is dipotassium;carbamothioic S-acid;hydride.
What is the SMILES notation for dipotassium;carbamothioic S-acid;hydride?
The canonical SMILES for dipotassium;carbamothioic S-acid;hydride is NC(=O)S.[H-].[H-].[K+].[K+].
What is the InChIKey of dipotassium;carbamothioic S-acid;hydride?
The InChIKey is FXCAMXZLSCUDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3NOS.2K.2H/c2-1(3)4;;;;/h(H3,2,3,4);;;;/q;2*+1;2*-1.
What are the key properties of dipotassium;carbamothioic S-acid;hydride?
dipotassium;carbamothioic S-acid;hydride has a molecular weight of 157.32 g/mol, XLogP of -5.77, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;carbamothioic S-acid;hydride is sourced from PubChem (CID 174982540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).