CID 134839275

C12H20NO2S2- — CID 134839275

IUPAC—
SMILESCC(C)(C)OC(=O)N1CCCC1[C-]1SCCS1
InChIInChI=1S/C12H20NO2S2/c1-12(2,3)15-11(14)13-6-4-5-9(13)10-16-7-8-17-10/h9H,4-8H2,1-3H3/q-1
InChIKeyFLWPJPDBAUNIFO-UHFFFAOYSA-N
MW274.43 g/mol
LogP3.36
Rot. Bonds1

About CID 134839275

CID 134839275 (PubChem CID 134839275) has the molecular formula C12H20NO2S2- and a molecular weight of 274.43 g/mol.

Molecular Properties

Compound NameCID 134839275
PubChem CID134839275
Molecular FormulaC12H20NO2S2-
Molecular Weight274.43 g/mol
Exact Mass274.09
IUPAC Name—
SMILESCC(C)(C)OC(=O)N1CCCC1[C-]1SCCS1
InChIInChI=1S/C12H20NO2S2/c1-12(2,3)15-11(14)13-6-4-5-9(13)10-16-7-8-17-10/h9H,4-8H2,1-3H3/q-1
InChIKeyFLWPJPDBAUNIFO-UHFFFAOYSA-N
XLogP3.36
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 134839275?
The IUPAC name of CID 134839275 (CID 134839275) is not available.
What is the SMILES notation for CID 134839275?
The canonical SMILES for CID 134839275 is CC(C)(C)OC(=O)N1CCCC1[C-]1SCCS1.
What is the InChIKey of CID 134839275?
The InChIKey is FLWPJPDBAUNIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20NO2S2/c1-12(2,3)15-11(14)13-6-4-5-9(13)10-16-7-8-17-10/h9H,4-8H2,1-3H3/q-1.
What are the key properties of CID 134839275?
CID 134839275 has a molecular weight of 274.43 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134839275 is sourced from PubChem (CID 134839275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).