5-naphthalen-2-yl-1,2,4-dithiazol-3-one

C12H7NOS2 — CID 71596669

IUPAC5-naphthalen-2-yl-1,2,4-dithiazol-3-one
SMILESO=c1nc(-c2ccc3ccccc3c2)ss1
InChIInChI=1S/C12H7NOS2/c14-12-13-11(15-16-12)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H
InChIKeyABMSAPBTYSUSNJ-UHFFFAOYSA-N
MW245.33 g/mol
LogP3.38
Rot. Bonds1

About 5-naphthalen-2-yl-1,2,4-dithiazol-3-one

5-naphthalen-2-yl-1,2,4-dithiazol-3-one (PubChem CID 71596669) has the molecular formula C12H7NOS2 and a molecular weight of 245.33 g/mol. Its IUPAC name is 5-naphthalen-2-yl-1,2,4-dithiazol-3-one.

Molecular Properties

Compound Name5-naphthalen-2-yl-1,2,4-dithiazol-3-one
PubChem CID71596669
Molecular FormulaC12H7NOS2
Molecular Weight245.33 g/mol
Exact Mass245.00
IUPAC Name5-naphthalen-2-yl-1,2,4-dithiazol-3-one
SMILESO=c1nc(-c2ccc3ccccc3c2)ss1
InChIInChI=1S/C12H7NOS2/c14-12-13-11(15-16-12)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H
InChIKeyABMSAPBTYSUSNJ-UHFFFAOYSA-N
XLogP3.38
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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benzo[f]azulene
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2-naphthalen-2-yl-5-phenyl-1,3-thiazole
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2,7-dinaphthalen-2-ylfluoren-9-one
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6-naphthalen-2-ylisoquinoline
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4-naphthalen-2-yl-1,3-dithiol-2-one
CID 125487158
2-(4-methyl-2-naphthalen-2-yl-1,3-thiazol-5-yl)ethanamine
CID 79154712
2,5-dinaphthalen-2-yl-1,4-dithiine
CID 4615043
2-naphthalen-2-yl-4-phenyl-1H-pyrimidin-6-one
CID 135932128
3-naphthalen-2-yl-1,4-benzothiazin-2-one
CID 139215524
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CID 106696152

Frequently Asked Questions

What is the IUPAC name of 5-naphthalen-2-yl-1,2,4-dithiazol-3-one?
The IUPAC name of 5-naphthalen-2-yl-1,2,4-dithiazol-3-one (CID 71596669) is 5-naphthalen-2-yl-1,2,4-dithiazol-3-one.
What is the SMILES notation for 5-naphthalen-2-yl-1,2,4-dithiazol-3-one?
The canonical SMILES for 5-naphthalen-2-yl-1,2,4-dithiazol-3-one is O=c1nc(-c2ccc3ccccc3c2)ss1.
What is the InChIKey of 5-naphthalen-2-yl-1,2,4-dithiazol-3-one?
The InChIKey is ABMSAPBTYSUSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7NOS2/c14-12-13-11(15-16-12)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H.
What are the key properties of 5-naphthalen-2-yl-1,2,4-dithiazol-3-one?
5-naphthalen-2-yl-1,2,4-dithiazol-3-one has a molecular weight of 245.33 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-naphthalen-2-yl-1,2,4-dithiazol-3-one is sourced from PubChem (CID 71596669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).