CID 139984998

C18H15NOS2 — CID 139984998

IUPAC—
SMILESC1=CC2(CSC3(Cc4ccccc4O3)S2)Nc2ccccc21
InChIInChI=1S/C18H15NOS2/c1-3-7-15-13(5-1)9-10-17(19-15)12-21-18(22-17)11-14-6-2-4-8-16(14)20-18/h1-10,19H,11-12H2
InChIKeyVFVBUVCRLUWICM-UHFFFAOYSA-N
MW325.46 g/mol
LogP4.59
Rot. Bonds

About CID 139984998

CID 139984998 (PubChem CID 139984998) has the molecular formula C18H15NOS2 and a molecular weight of 325.46 g/mol.

Molecular Properties

Compound NameCID 139984998
PubChem CID139984998
Molecular FormulaC18H15NOS2
Molecular Weight325.46 g/mol
Exact Mass325.06
IUPAC Name—
SMILESC1=CC2(CSC3(Cc4ccccc4O3)S2)Nc2ccccc21
InChIInChI=1S/C18H15NOS2/c1-3-7-15-13(5-1)9-10-17(19-15)12-21-18(22-17)11-14-6-2-4-8-16(14)20-18/h1-10,19H,11-12H2
InChIKeyVFVBUVCRLUWICM-UHFFFAOYSA-N
XLogP4.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 139984998?
The IUPAC name of CID 139984998 (CID 139984998) is not available.
What is the SMILES notation for CID 139984998?
The canonical SMILES for CID 139984998 is C1=CC2(CSC3(Cc4ccccc4O3)S2)Nc2ccccc21.
What is the InChIKey of CID 139984998?
The InChIKey is VFVBUVCRLUWICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NOS2/c1-3-7-15-13(5-1)9-10-17(19-15)12-21-18(22-17)11-14-6-2-4-8-16(14)20-18/h1-10,19H,11-12H2.
What are the key properties of CID 139984998?
CID 139984998 has a molecular weight of 325.46 g/mol, XLogP of 4.59, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 139984998 is sourced from PubChem (CID 139984998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).