CID 172754497

C4H10Na2O2S2 — CID 172754497

IUPAC—
SMILESO[C@H](CS)[C@H](O)CS.[Na].[Na]
InChIInChI=1S/C4H10O2S2.2Na/c5-3(1-7)4(6)2-8;;/h3-8H,1-2H2;;/t3-,4-;;/m1../s1
InChIKeyKVFCQUKNPQAFBV-XWJKVJTJSA-N
MW200.24 g/mol
LogP-1.19
Rot. Bonds3

About CID 172754497

CID 172754497 (PubChem CID 172754497) has the molecular formula C4H10Na2O2S2 and a molecular weight of 200.24 g/mol.

Molecular Properties

Compound NameCID 172754497
PubChem CID172754497
Molecular FormulaC4H10Na2O2S2
Molecular Weight200.24 g/mol
Exact Mass199.99
IUPAC Name—
SMILESO[C@H](CS)[C@H](O)CS.[Na].[Na]
InChIInChI=1S/C4H10O2S2.2Na/c5-3(1-7)4(6)2-8;;/h3-8H,1-2H2;;/t3-,4-;;/m1../s1
InChIKeyKVFCQUKNPQAFBV-XWJKVJTJSA-N
XLogP-1.19
TPSA40.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-1.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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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(2R,3R)-4-sulfanylbutane-1,2,3-triol
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(2S,3R,4S,5R)-1,6-bis(sulfanyl)hexane-2,3,4,5-tetrol
CID 3053653
1,4-bis(sulfanyl)butane-2,3-diol;phosphoric acid
CID 175430478
(2R,3R,4R,5R)-1,3,4,6-tetrakis(sulfanyl)hexane-2,5-diol
CID 119097548
CID 174870249
CID 174870249
(2S,3S)-1,4-bis(sulfanyl)butane-2,3-diol;2-iodoacetamide
CID 87360048
1-sulfanyl-3-(sulfanylmethyl)pentan-2-ol
CID 155461515
(2S,3S)-1,4-bis(sulfanyl)butane-2,3-diol;2,3-bis(sulfanyl)propan-1-ol;propane-1,1-dithiol
CID 160633618
2-amino-3-[(2-amino-2-carboxyethyl)disulfanyl]propanoic acid;(2S,3S)-1,4-bis(sulfanyl)butane-2,3-diol
CID 87643677
CID 87134159
CID 87134159
(4S,5S)-2,3,6-tris(sulfanyl)hexane-1,4,5-triol
CID 57064649

Frequently Asked Questions

What is the IUPAC name of CID 172754497?
The IUPAC name of CID 172754497 (CID 172754497) is not available.
What is the SMILES notation for CID 172754497?
The canonical SMILES for CID 172754497 is O[C@H](CS)[C@H](O)CS.[Na].[Na].
What is the InChIKey of CID 172754497?
The InChIKey is KVFCQUKNPQAFBV-XWJKVJTJSA-N. The full InChI is InChI=1S/C4H10O2S2.2Na/c5-3(1-7)4(6)2-8;;/h3-8H,1-2H2;;/t3-,4-;;/m1../s1.
What are the key properties of CID 172754497?
CID 172754497 has a molecular weight of 200.24 g/mol, XLogP of -1.19, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172754497 is sourced from PubChem (CID 172754497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).