CID 159948198

C8H15NNa2O6S4 — CID 159948198

IUPAC—
SMILESC=CS(=O)(=O)CCSCCNC(C)=O.O=S=S(=O)=O.[Na][Na]
InChIInChI=1S/C8H15NO3S2.2Na.O3S2/c1-3-14(11,12)7-6-13-5-4-9-8(2)10;;;1-4-5(2)3/h3H,1,4-7H2,2H3,(H,9,10);;;
InChIKeyOBTKOHSWBSYIAB-UHFFFAOYSA-N
MW395.46 g/mol
LogP-1.35
Rot. Bonds7

About CID 159948198

CID 159948198 (PubChem CID 159948198) has the molecular formula C8H15NNa2O6S4 and a molecular weight of 395.46 g/mol.

Molecular Properties

Compound NameCID 159948198
PubChem CID159948198
Molecular FormulaC8H15NNa2O6S4
Molecular Weight395.46 g/mol
Exact Mass394.96
IUPAC Name—
SMILESC=CS(=O)(=O)CCSCCNC(C)=O.O=S=S(=O)=O.[Na][Na]
InChIInChI=1S/C8H15NO3S2.2Na.O3S2/c1-3-14(11,12)7-6-13-5-4-9-8(2)10;;;1-4-5(2)3/h3H,1,4-7H2,2H3,(H,9,10);;;
InChIKeyOBTKOHSWBSYIAB-UHFFFAOYSA-N
XLogP-1.35
TPSA114.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 5-1.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 159948198?
The IUPAC name of CID 159948198 (CID 159948198) is not available.
What is the SMILES notation for CID 159948198?
The canonical SMILES for CID 159948198 is C=CS(=O)(=O)CCSCCNC(C)=O.O=S=S(=O)=O.[Na][Na].
What is the InChIKey of CID 159948198?
The InChIKey is OBTKOHSWBSYIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3S2.2Na.O3S2/c1-3-14(11,12)7-6-13-5-4-9-8(2)10;;;1-4-5(2)3/h3H,1,4-7H2,2H3,(H,9,10);;;.
What are the key properties of CID 159948198?
CID 159948198 has a molecular weight of 395.46 g/mol, XLogP of -1.35, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159948198 is sourced from PubChem (CID 159948198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).