CID 88709878

C6H12NaS4 — CID 88709878

IUPAC—
SMILESCCC(=S)S.CCC(=S)S.[Na]
InChIInChI=1S/2C3H6S2.Na/c2*1-2-3(4)5;/h2*2H2,1H3,(H,4,5);
InChIKeyHFRVCTPUKRNXGD-UHFFFAOYSA-N
MW235.42 g/mol
LogP2.93
Rot. Bonds2

About CID 88709878

CID 88709878 (PubChem CID 88709878) has the molecular formula C6H12NaS4 and a molecular weight of 235.42 g/mol.

Molecular Properties

Compound NameCID 88709878
PubChem CID88709878
Molecular FormulaC6H12NaS4
Molecular Weight235.42 g/mol
Exact Mass234.97
IUPAC Name—
SMILESCCC(=S)S.CCC(=S)S.[Na]
InChIInChI=1S/2C3H6S2.Na/c2*1-2-3(4)5;/h2*2H2,1H3,(H,4,5);
InChIKeyHFRVCTPUKRNXGD-UHFFFAOYSA-N
XLogP2.93
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.42
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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CID 87899973
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CID 172737064
CID 172737064
propanethioic S-acid
CID 87087684
2-(methylamino)ethanedithioic acid
CID 141088793
ethoxymethanedithioic acid
CID 8823
carbamodithioic acid;N,N-diethylethanamine
CID 71364945
tetrakis(ethoxymethanedithioic acid);sulfane
CID 173034920
diethylcarbamodithioic acid;lanthanum
CID 174709287
alumane;diethylcarbamodithioic acid
CID 174602064

Frequently Asked Questions

What is the IUPAC name of CID 88709878?
The IUPAC name of CID 88709878 (CID 88709878) is not available.
What is the SMILES notation for CID 88709878?
The canonical SMILES for CID 88709878 is CCC(=S)S.CCC(=S)S.[Na].
What is the InChIKey of CID 88709878?
The InChIKey is HFRVCTPUKRNXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H6S2.Na/c2*1-2-3(4)5;/h2*2H2,1H3,(H,4,5);.
What are the key properties of CID 88709878?
CID 88709878 has a molecular weight of 235.42 g/mol, XLogP of 2.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88709878 is sourced from PubChem (CID 88709878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).