sodium;bis(carbamothioic S-acid);hydride;propane

C8H23N2NaO2S2 — CID 173458343

IUPACsodium;bis(carbamothioic S-acid);hydride;propane
SMILESCCC.CCC.NC(=O)S.NC(=O)S.[H-].[Na+]
InChIInChI=1S/2C3H8.2CH3NOS.Na.H/c2*1-3-2;2*2-1(3)4;;/h2*3H2,1-2H3;2*(H3,2,3,4);;/q;;;;+1;-1
InChIKeyLNMJWJGNIMRPRN-UHFFFAOYSA-N
MW266.41 g/mol
LogP-0.06
Rot. Bonds

About sodium;bis(carbamothioic S-acid);hydride;propane

sodium;bis(carbamothioic S-acid);hydride;propane (PubChem CID 173458343) has the molecular formula C8H23N2NaO2S2 and a molecular weight of 266.41 g/mol. Its IUPAC name is sodium;bis(carbamothioic S-acid);hydride;propane.

Molecular Properties

Compound Namesodium;bis(carbamothioic S-acid);hydride;propane
PubChem CID173458343
Molecular FormulaC8H23N2NaO2S2
Molecular Weight266.41 g/mol
Exact Mass266.11
IUPAC Namesodium;bis(carbamothioic S-acid);hydride;propane
SMILESCCC.CCC.NC(=O)S.NC(=O)S.[H-].[Na+]
InChIInChI=1S/2C3H8.2CH3NOS.Na.H/c2*1-3-2;2*2-1(3)4;;/h2*3H2,1-2H3;2*(H3,2,3,4);;/q;;;;+1;-1
InChIKeyLNMJWJGNIMRPRN-UHFFFAOYSA-N
XLogP-0.06
TPSA86.18 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 5-0.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze sodium;bis(carbamothioic S-acid);hydride;propane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

sodium;bis(carbamothioic S-acid);ethane;hydride
CID 173033677
bis(carbamothioic S-acid);bis(2-methylpropane);propane
CID 173455372
sodium;bis(carbamothioic S-acid);ethane;hydride;trihydrate
CID 173041470
sodium;bis(carbamothioic S-acid);ethane;hydride;methanol;trihydrate
CID 174186101
bis(carbamothioic S-acid);methanethiol
CID 173288560
dipotassium;carbamothioic S-acid;hydride
CID 174982540
sodium;carbamothioic S-acid;dipropylcarbamothioic S-acid;hydride
CID 173333839
acetamide;carbamothioic S-acid
CID 160740835
but-1-ene;bis(carbamothioic S-acid)
CID 87966489
CID 87646890
CID 87646890
carbamothioic S-acid;hafnium
CID 89401322
bis(carbamothioic S-acid);hydrazine
CID 175156320

Frequently Asked Questions

What is the IUPAC name of sodium;bis(carbamothioic S-acid);hydride;propane?
The IUPAC name of sodium;bis(carbamothioic S-acid);hydride;propane (CID 173458343) is sodium;bis(carbamothioic S-acid);hydride;propane.
What is the SMILES notation for sodium;bis(carbamothioic S-acid);hydride;propane?
The canonical SMILES for sodium;bis(carbamothioic S-acid);hydride;propane is CCC.CCC.NC(=O)S.NC(=O)S.[H-].[Na+].
What is the InChIKey of sodium;bis(carbamothioic S-acid);hydride;propane?
The InChIKey is LNMJWJGNIMRPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H8.2CH3NOS.Na.H/c2*1-3-2;2*2-1(3)4;;/h2*3H2,1-2H3;2*(H3,2,3,4);;/q;;;;+1;-1.
What are the key properties of sodium;bis(carbamothioic S-acid);hydride;propane?
sodium;bis(carbamothioic S-acid);hydride;propane has a molecular weight of 266.41 g/mol, XLogP of -0.06, 0 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;bis(carbamothioic S-acid);hydride;propane is sourced from PubChem (CID 173458343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).