CID 172737064

CH3NNa2S2 — CID 172737064

IUPAC—
SMILESNC(=S)S.[Na].[Na]
InChIInChI=1S/CH3NS2.2Na/c2-1(3)4;;/h(H3,2,3,4);;
InChIKeyIOVQYVABKFYSQU-UHFFFAOYSA-N
MW139.16 g/mol
LogP-0.60
Rot. Bonds

About CID 172737064

CID 172737064 (PubChem CID 172737064) has the molecular formula CH3NNa2S2 and a molecular weight of 139.16 g/mol.

Molecular Properties

Compound NameCID 172737064
PubChem CID172737064
Molecular FormulaCH3NNa2S2
Molecular Weight139.16 g/mol
Exact Mass138.95
IUPAC Name—
SMILESNC(=S)S.[Na].[Na]
InChIInChI=1S/CH3NS2.2Na/c2-1(3)4;;/h(H3,2,3,4);;
InChIKeyIOVQYVABKFYSQU-UHFFFAOYSA-N
XLogP-0.60
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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barium(2+);carbamodithioic acid;hydride
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CID 71434937
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Frequently Asked Questions

What is the IUPAC name of CID 172737064?
The IUPAC name of CID 172737064 (CID 172737064) is not available.
What is the SMILES notation for CID 172737064?
The canonical SMILES for CID 172737064 is NC(=S)S.[Na].[Na].
What is the InChIKey of CID 172737064?
The InChIKey is IOVQYVABKFYSQU-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3NS2.2Na/c2-1(3)4;;/h(H3,2,3,4);;.
What are the key properties of CID 172737064?
CID 172737064 has a molecular weight of 139.16 g/mol, XLogP of -0.60, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172737064 is sourced from PubChem (CID 172737064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).