CID 174870249

C4H10Na2O6S4 — CID 174870249

IUPAC—
SMILESO=S([O-])S(=O)[O-].OC(CS)C(O)CS.[Na+].[Na+]
InChIInChI=1S/C4H10O2S2.2Na.H2O4S2/c5-3(1-7)4(6)2-8;;;1-5(2)6(3)4/h3-8H,1-2H2;;;(H,1,2)(H,3,4)/q;2*+1;/p-2
InChIKeyMXRDLQMJUHXTDR-UHFFFAOYSA-L
MW328.37 g/mol
LogP-7.76
Rot. Bonds4

About CID 174870249

CID 174870249 (PubChem CID 174870249) has the molecular formula C4H10Na2O6S4 and a molecular weight of 328.37 g/mol.

Molecular Properties

Compound NameCID 174870249
PubChem CID174870249
Molecular FormulaC4H10Na2O6S4
Molecular Weight328.37 g/mol
Exact Mass327.92
IUPAC Name—
SMILESO=S([O-])S(=O)[O-].OC(CS)C(O)CS.[Na+].[Na+]
InChIInChI=1S/C4H10O2S2.2Na.H2O4S2/c5-3(1-7)4(6)2-8;;;1-5(2)6(3)4/h3-8H,1-2H2;;;(H,1,2)(H,3,4)/q;2*+1;/p-2
InChIKeyMXRDLQMJUHXTDR-UHFFFAOYSA-L
XLogP-7.76
TPSA120.72 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 5-7.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S)-1,4-bis(sulfanyl)butane-2,3-diol;sulfane
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CID 172754497
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CID 162187212
1,4-bis(sulfanyl)butane-2,3-diol;phosphoric acid
CID 175430478
(2R,3R)-4-sulfanylbutane-1,2,3-triol
CID 20617781
(2S,3R,4S,5R)-1,6-bis(sulfanyl)hexane-2,3,4,5-tetrol
CID 3053653
(2S,3S)-1,4-bis(sulfanyl)butane-2,3-diol;2-iodoacetamide
CID 87360048
(2R,3R,4R,5R)-1,3,4,6-tetrakis(sulfanyl)hexane-2,5-diol
CID 119097548
Zinc dithionite
CID 24517
CID 21271989
CID 21271989
CID 158158863
CID 158158863
CID 173423276
CID 173423276

Frequently Asked Questions

What is the IUPAC name of CID 174870249?
The IUPAC name of CID 174870249 (CID 174870249) is not available.
What is the SMILES notation for CID 174870249?
The canonical SMILES for CID 174870249 is O=S([O-])S(=O)[O-].OC(CS)C(O)CS.[Na+].[Na+].
What is the InChIKey of CID 174870249?
The InChIKey is MXRDLQMJUHXTDR-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H10O2S2.2Na.H2O4S2/c5-3(1-7)4(6)2-8;;;1-5(2)6(3)4/h3-8H,1-2H2;;;(H,1,2)(H,3,4)/q;2*+1;/p-2.
What are the key properties of CID 174870249?
CID 174870249 has a molecular weight of 328.37 g/mol, XLogP of -7.76, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174870249 is sourced from PubChem (CID 174870249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).