CID 135044554

C11H15S2+ — CID 135044554

IUPAC—
SMILESC1=C[C@@H]2CC[C@H]1C[C+]1SCCSC12
InChIInChI=1S/C11H15S2/c1-3-9-4-2-8(1)7-10-11(9)13-6-5-12-10/h1,3,8-9,11H,2,4-7H2/q+1/t8-,9+,11?/m0/s1
InChIKeyAZNZDMNZPBCMMO-VUHGHZMFSA-N
MW211.37 g/mol
LogP3.35
Rot. Bonds

About CID 135044554

CID 135044554 (PubChem CID 135044554) has the molecular formula C11H15S2+ and a molecular weight of 211.37 g/mol.

Molecular Properties

Compound NameCID 135044554
PubChem CID135044554
Molecular FormulaC11H15S2+
Molecular Weight211.37 g/mol
Exact Mass211.06
IUPAC Name—
SMILESC1=C[C@@H]2CC[C@H]1C[C+]1SCCSC12
InChIInChI=1S/C11H15S2/c1-3-9-4-2-8(1)7-10-11(9)13-6-5-12-10/h1,3,8-9,11H,2,4-7H2/q+1/t8-,9+,11?/m0/s1
InChIKeyAZNZDMNZPBCMMO-VUHGHZMFSA-N
XLogP3.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.37
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 135044554?
The IUPAC name of CID 135044554 (CID 135044554) is not available.
What is the SMILES notation for CID 135044554?
The canonical SMILES for CID 135044554 is C1=C[C@@H]2CC[C@H]1C[C+]1SCCSC12.
What is the InChIKey of CID 135044554?
The InChIKey is AZNZDMNZPBCMMO-VUHGHZMFSA-N. The full InChI is InChI=1S/C11H15S2/c1-3-9-4-2-8(1)7-10-11(9)13-6-5-12-10/h1,3,8-9,11H,2,4-7H2/q+1/t8-,9+,11?/m0/s1.
What are the key properties of CID 135044554?
CID 135044554 has a molecular weight of 211.37 g/mol, XLogP of 3.35, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135044554 is sourced from PubChem (CID 135044554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).