naphthalen-1-ylsulfanyl chlorate

C10H7ClO3S — CID 170558441

IUPACnaphthalen-1-ylsulfanyl chlorate
SMILES[O-][Cl+2]([O-])OSc1cccc2ccccc12
InChIInChI=1S/C10H7ClO3S/c12-11(13)14-15-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
InChIKeyOVKKFKRDYXBNNR-UHFFFAOYSA-N
MW242.68 g/mol
LogP0.95
Rot. Bonds3

About naphthalen-1-ylsulfanyl chlorate

naphthalen-1-ylsulfanyl chlorate (PubChem CID 170558441) has the molecular formula C10H7ClO3S and a molecular weight of 242.68 g/mol. Its IUPAC name is naphthalen-1-ylsulfanyl chlorate.

Molecular Properties

Compound Namenaphthalen-1-ylsulfanyl chlorate
PubChem CID170558441
Molecular FormulaC10H7ClO3S
Molecular Weight242.68 g/mol
Exact Mass241.98
IUPAC Namenaphthalen-1-ylsulfanyl chlorate
SMILES[O-][Cl+2]([O-])OSc1cccc2ccccc12
InChIInChI=1S/C10H7ClO3S/c12-11(13)14-15-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
InChIKeyOVKKFKRDYXBNNR-UHFFFAOYSA-N
XLogP0.95
TPSA55.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.68
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Related Compounds

azanylidyne(naphthalen-1-yl)-λ4-sulfane
CID 158900561
naphthalen-1-yl thiohypofluorite
CID 142394158
naphthalen-1-ylsulfanyl N-carbamoylcarbamate
CID 68502608
2-naphthalen-1-ylsulfanylnaphthalene-1-thiol
CID 57475542
1-diazoniosulfanylnaphthalene
CID 172863183
3-naphthalen-1-ylsulfanylbenzene-1,2-diol
CID 174889170
2-naphthalen-1-ylsulfanylacetaldehyde
CID 57268910
1-butan-2-ylsulfanylnaphthalene
CID 46892889
N'-naphthalen-1-ylsulfanylmethanediamine
CID 142909426
2-[naphthalen-1-ylsulfanyl(sulfanyl)methylidene]propanedinitrile
CID 134966449
trihydroxy(naphthalen-1-yl)phosphanium
CID 57315361
(Z)-3-naphthalen-1-ylsulfanylprop-2-enal
CID 134891264

Frequently Asked Questions

What is the IUPAC name of naphthalen-1-ylsulfanyl chlorate?
The IUPAC name of naphthalen-1-ylsulfanyl chlorate (CID 170558441) is naphthalen-1-ylsulfanyl chlorate.
What is the SMILES notation for naphthalen-1-ylsulfanyl chlorate?
The canonical SMILES for naphthalen-1-ylsulfanyl chlorate is [O-][Cl+2]([O-])OSc1cccc2ccccc12.
What is the InChIKey of naphthalen-1-ylsulfanyl chlorate?
The InChIKey is OVKKFKRDYXBNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClO3S/c12-11(13)14-15-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H.
What are the key properties of naphthalen-1-ylsulfanyl chlorate?
naphthalen-1-ylsulfanyl chlorate has a molecular weight of 242.68 g/mol, XLogP of 0.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-ylsulfanyl chlorate is sourced from PubChem (CID 170558441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).