disodium;ethanebis(dithioate)

C2Na2S4 — CID 87697624

IUPACdisodium;ethanebis(dithioate)
SMILESS=C([S-])C(=S)[S-].[Na+].[Na+]
InChIInChI=1S/C2H2S4.2Na/c3-1(4)2(5)6;;/h(H,3,4)(H,5,6);;/q;2*+1/p-2
InChIKeyDXFYKTLQCYYDBM-UHFFFAOYSA-L
MW198.27 g/mol
LogP-5.26
Rot. Bonds1

About disodium;ethanebis(dithioate)

disodium;ethanebis(dithioate) (PubChem CID 87697624) has the molecular formula C2Na2S4 and a molecular weight of 198.27 g/mol. Its IUPAC name is disodium;ethanebis(dithioate).

Molecular Properties

Compound Namedisodium;ethanebis(dithioate)
PubChem CID87697624
Molecular FormulaC2Na2S4
Molecular Weight198.27 g/mol
Exact Mass197.87
IUPAC Namedisodium;ethanebis(dithioate)
SMILESS=C([S-])C(=S)[S-].[Na+].[Na+]
InChIInChI=1S/C2H2S4.2Na/c3-1(4)2(5)6;;/h(H,3,4)(H,5,6);;/q;2*+1/p-2
InChIKeyDXFYKTLQCYYDBM-UHFFFAOYSA-L
XLogP-5.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 5-5.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

carbanide;ethanebis(dithioate);bis(gold(3+))
CID 135083321
disodium bis(N,N-dimethylcarbamodithioate)
CID 160761819
bis(molybdenum(4+)) dicarbamodithioate
CID 158550318
gold(1+) carbamodithioate
CID 118378800
molybdenum carbamodithioate
CID 141150740
magnesium dicarbamodithioate
CID 23080754
sodium sulfaniumylmethanedithioate
CID 59660069
molybdenum;zinc;carbamodithioate
CID 174974213
sodium N-methyl-N-sulfanylcarbamodithioate
CID 172812180
sodium N-methylidenecarbamodithioate
CID 141440522
sodium methoxymethanedithioate
CID 23681518
ethane;iron(3+);carbamodithioate
CID 175496222

Frequently Asked Questions

What is the IUPAC name of disodium;ethanebis(dithioate)?
The IUPAC name of disodium;ethanebis(dithioate) (CID 87697624) is disodium;ethanebis(dithioate).
What is the SMILES notation for disodium;ethanebis(dithioate)?
The canonical SMILES for disodium;ethanebis(dithioate) is S=C([S-])C(=S)[S-].[Na+].[Na+].
What is the InChIKey of disodium;ethanebis(dithioate)?
The InChIKey is DXFYKTLQCYYDBM-UHFFFAOYSA-L. The full InChI is InChI=1S/C2H2S4.2Na/c3-1(4)2(5)6;;/h(H,3,4)(H,5,6);;/q;2*+1/p-2.
What are the key properties of disodium;ethanebis(dithioate)?
disodium;ethanebis(dithioate) has a molecular weight of 198.27 g/mol, XLogP of -5.26, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;ethanebis(dithioate) is sourced from PubChem (CID 87697624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).