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

C6H19N2NaO2S2 — CID 173033677

IUPACsodium;bis(carbamothioic S-acid);ethane;hydride
SMILESCC.CC.NC(=O)S.NC(=O)S.[H-].[Na+]
InChIInChI=1S/2C2H6.2CH3NOS.Na.H/c2*1-2;2*2-1(3)4;;/h2*1-2H3;2*(H3,2,3,4);;/q;;;;+1;-1
InChIKeyUOQQVYDZUDRUOK-UHFFFAOYSA-N
MW238.35 g/mol
LogP-0.84
Rot. Bonds

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

sodium;bis(carbamothioic S-acid);ethane;hydride (PubChem CID 173033677) has the molecular formula C6H19N2NaO2S2 and a molecular weight of 238.35 g/mol. Its IUPAC name is sodium;bis(carbamothioic S-acid);ethane;hydride.

Molecular Properties

Compound Namesodium;bis(carbamothioic S-acid);ethane;hydride
PubChem CID173033677
Molecular FormulaC6H19N2NaO2S2
Molecular Weight238.35 g/mol
Exact Mass238.08
IUPAC Namesodium;bis(carbamothioic S-acid);ethane;hydride
SMILESCC.CC.NC(=O)S.NC(=O)S.[H-].[Na+]
InChIInChI=1S/2C2H6.2CH3NOS.Na.H/c2*1-2;2*2-1(3)4;;/h2*1-2H3;2*(H3,2,3,4);;/q;;;;+1;-1
InChIKeyUOQQVYDZUDRUOK-UHFFFAOYSA-N
XLogP-0.84
TPSA86.18 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 5-0.84
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'}

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Frequently Asked Questions

What is the IUPAC name of sodium;bis(carbamothioic S-acid);ethane;hydride?
The IUPAC name of sodium;bis(carbamothioic S-acid);ethane;hydride (CID 173033677) is sodium;bis(carbamothioic S-acid);ethane;hydride.
What is the SMILES notation for sodium;bis(carbamothioic S-acid);ethane;hydride?
The canonical SMILES for sodium;bis(carbamothioic S-acid);ethane;hydride is CC.CC.NC(=O)S.NC(=O)S.[H-].[Na+].
What is the InChIKey of sodium;bis(carbamothioic S-acid);ethane;hydride?
The InChIKey is UOQQVYDZUDRUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H6.2CH3NOS.Na.H/c2*1-2;2*2-1(3)4;;/h2*1-2H3;2*(H3,2,3,4);;/q;;;;+1;-1.
What are the key properties of sodium;bis(carbamothioic S-acid);ethane;hydride?
sodium;bis(carbamothioic S-acid);ethane;hydride has a molecular weight of 238.35 g/mol, XLogP of -0.84, 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);ethane;hydride is sourced from PubChem (CID 173033677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).