CID 168891181

C14H12O4S2 — CID 168891181

IUPAC—
SMILESc1cc2c(s1)-c1sccc1C1(OCCO1)C21OCCO1
InChIInChI=1S/C14H12O4S2/c1-7-19-11-9(1)13(15-3-4-16-13)14(17-5-6-18-14)10-2-8-20-12(10)11/h1-2,7-8H,3-6H2
InChIKeyYCIXVCUSCCSTBV-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.89
Rot. Bonds

About CID 168891181

CID 168891181 (PubChem CID 168891181) has the molecular formula C14H12O4S2 and a molecular weight of 308.38 g/mol.

Molecular Properties

Compound NameCID 168891181
PubChem CID168891181
Molecular FormulaC14H12O4S2
Molecular Weight308.38 g/mol
Exact Mass308.02
IUPAC Name—
SMILESc1cc2c(s1)-c1sccc1C1(OCCO1)C21OCCO1
InChIInChI=1S/C14H12O4S2/c1-7-19-11-9(1)13(15-3-4-16-13)14(17-5-6-18-14)10-2-8-20-12(10)11/h1-2,7-8H,3-6H2
InChIKeyYCIXVCUSCCSTBV-UHFFFAOYSA-N
XLogP2.89
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of CID 168891181?
The IUPAC name of CID 168891181 (CID 168891181) is not available.
What is the SMILES notation for CID 168891181?
The canonical SMILES for CID 168891181 is c1cc2c(s1)-c1sccc1C1(OCCO1)C21OCCO1.
What is the InChIKey of CID 168891181?
The InChIKey is YCIXVCUSCCSTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O4S2/c1-7-19-11-9(1)13(15-3-4-16-13)14(17-5-6-18-14)10-2-8-20-12(10)11/h1-2,7-8H,3-6H2.
What are the key properties of CID 168891181?
CID 168891181 has a molecular weight of 308.38 g/mol, XLogP of 2.89, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 168891181 is sourced from PubChem (CID 168891181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).