CID 11426665

C9H11S2 — CID 11426665

IUPAC—
SMILESCC1([C]2[CH][CH][CH][CH]2)SCCS1
InChIInChI=1S/C9H11S2/c1-9(10-6-7-11-9)8-4-2-3-5-8/h2-5H,6-7H2,1H3
InChIKeyKECZMUFTXJMXEL-UHFFFAOYSA-N
MW183.32 g/mol
LogP2.59
Rot. Bonds1

About CID 11426665

CID 11426665 (PubChem CID 11426665) has the molecular formula C9H11S2 and a molecular weight of 183.32 g/mol.

Molecular Properties

Compound NameCID 11426665
PubChem CID11426665
Molecular FormulaC9H11S2
Molecular Weight183.32 g/mol
Exact Mass183.03
IUPAC Name—
SMILESCC1([C]2[CH][CH][CH][CH]2)SCCS1
InChIInChI=1S/C9H11S2/c1-9(10-6-7-11-9)8-4-2-3-5-8/h2-5H,6-7H2,1H3
InChIKeyKECZMUFTXJMXEL-UHFFFAOYSA-N
XLogP2.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.32
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 11426665?
The IUPAC name of CID 11426665 (CID 11426665) is not available.
What is the SMILES notation for CID 11426665?
The canonical SMILES for CID 11426665 is CC1([C]2[CH][CH][CH][CH]2)SCCS1.
What is the InChIKey of CID 11426665?
The InChIKey is KECZMUFTXJMXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11S2/c1-9(10-6-7-11-9)8-4-2-3-5-8/h2-5H,6-7H2,1H3.
What are the key properties of CID 11426665?
CID 11426665 has a molecular weight of 183.32 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11426665 is sourced from PubChem (CID 11426665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).