CID 134851564

C15H10NS2 — CID 134851564

IUPAC—
SMILESCSc1cc(C2=C[CH]C=C2)c2sccc2c1C#N
InChIInChI=1S/C15H10NS2/c1-17-14-8-12(10-4-2-3-5-10)15-11(6-7-18-15)13(14)9-16/h2-8H,1H3
InChIKeyOVCZZBFQZRSWFP-UHFFFAOYSA-N
MW268.39 g/mol
LogP4.65
Rot. Bonds2

About CID 134851564

CID 134851564 (PubChem CID 134851564) has the molecular formula C15H10NS2 and a molecular weight of 268.39 g/mol.

Molecular Properties

Compound NameCID 134851564
PubChem CID134851564
Molecular FormulaC15H10NS2
Molecular Weight268.39 g/mol
Exact Mass268.03
IUPAC Name—
SMILESCSc1cc(C2=C[CH]C=C2)c2sccc2c1C#N
InChIInChI=1S/C15H10NS2/c1-17-14-8-12(10-4-2-3-5-10)15-11(6-7-18-15)13(14)9-16/h2-8H,1H3
InChIKeyOVCZZBFQZRSWFP-UHFFFAOYSA-N
XLogP4.65
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 134851564?
The IUPAC name of CID 134851564 (CID 134851564) is not available.
What is the SMILES notation for CID 134851564?
The canonical SMILES for CID 134851564 is CSc1cc(C2=C[CH]C=C2)c2sccc2c1C#N.
What is the InChIKey of CID 134851564?
The InChIKey is OVCZZBFQZRSWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10NS2/c1-17-14-8-12(10-4-2-3-5-10)15-11(6-7-18-15)13(14)9-16/h2-8H,1H3.
What are the key properties of CID 134851564?
CID 134851564 has a molecular weight of 268.39 g/mol, XLogP of 4.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134851564 is sourced from PubChem (CID 134851564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).