CID 58878993

C6H14N2O2S2 — CID 58878993

IUPAC—
SMILES[CH]CNS(=O)(=O)CCSCCN
InChIInChI=1S/C6H14N2O2S2/c1-2-8-12(9,10)6-5-11-4-3-7/h1,8H,2-7H2
InChIKeyGDNSXTXFFWKYBS-UHFFFAOYSA-N
MW210.32 g/mol
LogP-0.69
Rot. Bonds7

About CID 58878993

CID 58878993 (PubChem CID 58878993) has the molecular formula C6H14N2O2S2 and a molecular weight of 210.32 g/mol.

Molecular Properties

Compound NameCID 58878993
PubChem CID58878993
Molecular FormulaC6H14N2O2S2
Molecular Weight210.32 g/mol
Exact Mass210.05
IUPAC Name—
SMILES[CH]CNS(=O)(=O)CCSCCN
InChIInChI=1S/C6H14N2O2S2/c1-2-8-12(9,10)6-5-11-4-3-7/h1,8H,2-7H2
InChIKeyGDNSXTXFFWKYBS-UHFFFAOYSA-N
XLogP-0.69
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 58878993?
The IUPAC name of CID 58878993 (CID 58878993) is not available.
What is the SMILES notation for CID 58878993?
The canonical SMILES for CID 58878993 is [CH]CNS(=O)(=O)CCSCCN.
What is the InChIKey of CID 58878993?
The InChIKey is GDNSXTXFFWKYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2S2/c1-2-8-12(9,10)6-5-11-4-3-7/h1,8H,2-7H2.
What are the key properties of CID 58878993?
CID 58878993 has a molecular weight of 210.32 g/mol, XLogP of -0.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58878993 is sourced from PubChem (CID 58878993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).