disodium;hydride;4-sulfanyl-3H-1,3-thiazole-2-thione

C3H5NNa2S3 — CID 175541997

IUPACdisodium;hydride;4-sulfanyl-3H-1,3-thiazole-2-thione
SMILESS=c1[nH]c(S)cs1.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C3H3NS3.2Na.2H/c5-2-1-7-3(6)4-2;;;;/h1,5H,(H,4,6);;;;/q;2*+1;2*-1
InChIKeyMZVDLNWOBFBXRL-UHFFFAOYSA-N
MW197.26 g/mol
LogP-3.67
Rot. Bonds

About disodium;hydride;4-sulfanyl-3H-1,3-thiazole-2-thione

disodium;hydride;4-sulfanyl-3H-1,3-thiazole-2-thione (PubChem CID 175541997) has the molecular formula C3H5NNa2S3 and a molecular weight of 197.26 g/mol. Its IUPAC name is disodium;hydride;4-sulfanyl-3H-1,3-thiazole-2-thione.

Molecular Properties

Compound Namedisodium;hydride;4-sulfanyl-3H-1,3-thiazole-2-thione
PubChem CID175541997
Molecular FormulaC3H5NNa2S3
Molecular Weight197.26 g/mol
Exact Mass196.94
IUPAC Namedisodium;hydride;4-sulfanyl-3H-1,3-thiazole-2-thione
SMILESS=c1[nH]c(S)cs1.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C3H3NS3.2Na.2H/c5-2-1-7-3(6)4-2;;;;/h1,5H,(H,4,6);;;;/q;2*+1;2*-1
InChIKeyMZVDLNWOBFBXRL-UHFFFAOYSA-N
XLogP-3.67
TPSA15.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 5-3.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of disodium;hydride;4-sulfanyl-3H-1,3-thiazole-2-thione?
The IUPAC name of disodium;hydride;4-sulfanyl-3H-1,3-thiazole-2-thione (CID 175541997) is disodium;hydride;4-sulfanyl-3H-1,3-thiazole-2-thione.
What is the SMILES notation for disodium;hydride;4-sulfanyl-3H-1,3-thiazole-2-thione?
The canonical SMILES for disodium;hydride;4-sulfanyl-3H-1,3-thiazole-2-thione is S=c1[nH]c(S)cs1.[H-].[H-].[Na+].[Na+].
What is the InChIKey of disodium;hydride;4-sulfanyl-3H-1,3-thiazole-2-thione?
The InChIKey is MZVDLNWOBFBXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3NS3.2Na.2H/c5-2-1-7-3(6)4-2;;;;/h1,5H,(H,4,6);;;;/q;2*+1;2*-1.
What are the key properties of disodium;hydride;4-sulfanyl-3H-1,3-thiazole-2-thione?
disodium;hydride;4-sulfanyl-3H-1,3-thiazole-2-thione has a molecular weight of 197.26 g/mol, XLogP of -3.67, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;hydride;4-sulfanyl-3H-1,3-thiazole-2-thione is sourced from PubChem (CID 175541997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).