CID 170844762

C4H6Na2O4S2 — CID 170844762

IUPAC—
SMILESO=C(O)CSSCC(=O)O.[Na].[Na]
InChIInChI=1S/C4H6O4S2.2Na/c5-3(6)1-9-10-2-4(7)8;;/h1-2H2,(H,5,6)(H,7,8);;
InChIKeyKBBRZURKOXSBOA-UHFFFAOYSA-N
MW228.20 g/mol
LogP-0.22
Rot. Bonds5

About CID 170844762

CID 170844762 (PubChem CID 170844762) has the molecular formula C4H6Na2O4S2 and a molecular weight of 228.20 g/mol.

Molecular Properties

Compound NameCID 170844762
PubChem CID170844762
Molecular FormulaC4H6Na2O4S2
Molecular Weight228.20 g/mol
Exact Mass227.95
IUPAC Name—
SMILESO=C(O)CSSCC(=O)O.[Na].[Na]
InChIInChI=1S/C4H6O4S2.2Na/c5-3(6)1-9-10-2-4(7)8;;/h1-2H2,(H,5,6)(H,7,8);;
InChIKeyKBBRZURKOXSBOA-UHFFFAOYSA-N
XLogP-0.22
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.20
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}

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Related Compounds

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2-iodosulfanylacetic acid
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2-[3-[3-[3-(carboxymethylsulfanyl)propylsulfanyl]propylsulfanyl]propylsulfanyl]acetic acid;rhodium-105(3+)
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2-[[(2S)-2-aminopropanoyl]disulfanyl]acetic acid
CID 91102497
azanide;bis(2-methylsulfanylacetic acid);platinum(2+)
CID 58480747
2-dihydroxyphosphanylsulfanylacetic acid
CID 89179958
2-methanethioylsulfanylacetic acid
CID 22952985
2-[3-(carboxymethylsulfanyl)-2-hydroxypropyl]sulfanylacetic acid
CID 71360068
2-(trimethylsilylmethylsulfanyl)acetic acid
CID 57226652
2-(2-methylprop-2-enylsulfanyl)acetic acid
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2-(2,3,4,5,6-pentafluorophenyl)sulfanylacetic acid
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Frequently Asked Questions

What is the IUPAC name of CID 170844762?
The IUPAC name of CID 170844762 (CID 170844762) is not available.
What is the SMILES notation for CID 170844762?
The canonical SMILES for CID 170844762 is O=C(O)CSSCC(=O)O.[Na].[Na].
What is the InChIKey of CID 170844762?
The InChIKey is KBBRZURKOXSBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O4S2.2Na/c5-3(6)1-9-10-2-4(7)8;;/h1-2H2,(H,5,6)(H,7,8);;.
What are the key properties of CID 170844762?
CID 170844762 has a molecular weight of 228.20 g/mol, XLogP of -0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 170844762 is sourced from PubChem (CID 170844762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).