sodium sulfaniumylmethanedithioate

CH2NaS3+ — CID 59660069

IUPACsodium sulfaniumylmethanedithioate
SMILESS=C([S-])[SH2+].[Na+]
InChIInChI=1S/CH2S3.Na/c2-1(3)4;/h(H2,2,3,4);/q;+1
InChIKeyKTUZQJKIAIYQIN-UHFFFAOYSA-N
MW133.22 g/mol
LogP-3.17
Rot. Bonds

About sodium sulfaniumylmethanedithioate

sodium sulfaniumylmethanedithioate (PubChem CID 59660069) has the molecular formula CH2NaS3+ and a molecular weight of 133.22 g/mol. Its IUPAC name is sodium sulfaniumylmethanedithioate.

Molecular Properties

Compound Namesodium sulfaniumylmethanedithioate
PubChem CID59660069
Molecular FormulaCH2NaS3+
Molecular Weight133.22 g/mol
Exact Mass132.92
IUPAC Namesodium sulfaniumylmethanedithioate
SMILESS=C([S-])[SH2+].[Na+]
InChIInChI=1S/CH2S3.Na/c2-1(3)4;/h(H2,2,3,4);/q;+1
InChIKeyKTUZQJKIAIYQIN-UHFFFAOYSA-N
XLogP-3.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.22
LogP ≤ 5-3.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

disodium;ethanebis(dithioate)
CID 87697624
bis(molybdenum(4+)) dicarbamodithioate
CID 158550318
gold(1+) carbamodithioate
CID 118378800
molybdenum carbamodithioate
CID 141150740
magnesium dicarbamodithioate
CID 23080754
molybdenum;zinc;carbamodithioate
CID 174974213
disodium bis(N,N-dimethylcarbamodithioate)
CID 160761819
ethane;iron(3+);carbamodithioate
CID 175496222
bis(carbamodithioic acid);molybdenum(4+);sulfane;tetracarbamodithioate
CID 172856917
sodium N-methylidenecarbamodithioate
CID 141440522
sodium methoxymethanedithioate
CID 23681518
carbanide;ethanebis(dithioate);bis(gold(3+))
CID 135083321

Frequently Asked Questions

What is the IUPAC name of sodium sulfaniumylmethanedithioate?
The IUPAC name of sodium sulfaniumylmethanedithioate (CID 59660069) is sodium sulfaniumylmethanedithioate.
What is the SMILES notation for sodium sulfaniumylmethanedithioate?
The canonical SMILES for sodium sulfaniumylmethanedithioate is S=C([S-])[SH2+].[Na+].
What is the InChIKey of sodium sulfaniumylmethanedithioate?
The InChIKey is KTUZQJKIAIYQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2S3.Na/c2-1(3)4;/h(H2,2,3,4);/q;+1.
What are the key properties of sodium sulfaniumylmethanedithioate?
sodium sulfaniumylmethanedithioate has a molecular weight of 133.22 g/mol, XLogP of -3.17, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium sulfaniumylmethanedithioate is sourced from PubChem (CID 59660069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).