(1-methylnaphthalen-2-yl) thiohypoiodite

C11H9IS — CID 167052202

IUPAC(1-methylnaphthalen-2-yl) thiohypoiodite
SMILESCc1c(SI)ccc2ccccc12
InChIInChI=1S/C11H9IS/c1-8-10-5-3-2-4-9(10)6-7-11(8)13-12/h2-7H,1H3
InChIKeyWVMOEGLRDJPUJO-UHFFFAOYSA-N
MW300.16 g/mol
LogP4.59
Rot. Bonds1

About (1-methylnaphthalen-2-yl) thiohypoiodite

(1-methylnaphthalen-2-yl) thiohypoiodite (PubChem CID 167052202) has the molecular formula C11H9IS and a molecular weight of 300.16 g/mol. Its IUPAC name is (1-methylnaphthalen-2-yl) thiohypoiodite.

Molecular Properties

Compound Name(1-methylnaphthalen-2-yl) thiohypoiodite
PubChem CID167052202
Molecular FormulaC11H9IS
Molecular Weight300.16 g/mol
Exact Mass299.95
IUPAC Name(1-methylnaphthalen-2-yl) thiohypoiodite
SMILESCc1c(SI)ccc2ccccc12
InChIInChI=1S/C11H9IS/c1-8-10-5-3-2-4-9(10)6-7-11(8)13-12/h2-7H,1H3
InChIKeyWVMOEGLRDJPUJO-UHFFFAOYSA-N
XLogP4.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,2-dimethylnaphthalene;ethane
CID 90922397
1,2-dimethylnaphthalene;hydrobromide
CID 174429192
2-(difluoromethyl)-1-methylnaphthalene;ethane
CID 142518689
(1-methylnaphthalen-2-yl)methanol
CID 15054223
1,2-dimethylnaphthalene;ethane;propane
CID 90958253
(1-methylnaphthalen-2-yl)phosphonic acid
CID 140517432
ethane;methane;phenanthrene
CID 144938954
ethane;methane;phenanthrene
CID 144939263
phenanthrene;toluene
CID 158347700
9,10-dimethylanthracene;bis(9-methylanthracene)
CID 159714317
9-methylanthracene;naphthalene
CID 142881908
1-chloro-2-methylsulfanylnaphthalene
CID 15311205

Frequently Asked Questions

What is the IUPAC name of (1-methylnaphthalen-2-yl) thiohypoiodite?
The IUPAC name of (1-methylnaphthalen-2-yl) thiohypoiodite (CID 167052202) is (1-methylnaphthalen-2-yl) thiohypoiodite.
What is the SMILES notation for (1-methylnaphthalen-2-yl) thiohypoiodite?
The canonical SMILES for (1-methylnaphthalen-2-yl) thiohypoiodite is Cc1c(SI)ccc2ccccc12.
What is the InChIKey of (1-methylnaphthalen-2-yl) thiohypoiodite?
The InChIKey is WVMOEGLRDJPUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9IS/c1-8-10-5-3-2-4-9(10)6-7-11(8)13-12/h2-7H,1H3.
What are the key properties of (1-methylnaphthalen-2-yl) thiohypoiodite?
(1-methylnaphthalen-2-yl) thiohypoiodite has a molecular weight of 300.16 g/mol, XLogP of 4.59, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylnaphthalen-2-yl) thiohypoiodite is sourced from PubChem (CID 167052202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).