2,3-dihydro-1H-indene;methanesulfonate

C10H13O3S- — CID 19699408

IUPAC2,3-dihydro-1H-indene;methanesulfonate
SMILESCS(=O)(=O)[O-].c1ccc2c(c1)CCC2
InChIInChI=1S/C9H10.CH4O3S/c1-2-5-9-7-3-6-8(9)4-1;1-5(2,3)4/h1-2,4-5H,3,6-7H2;1H3,(H,2,3,4)/p-1
InChIKeyIZSYLNSLEMYLGC-UHFFFAOYSA-M
MW213.28 g/mol
LogP1.34
Rot. Bonds

About 2,3-dihydro-1H-indene;methanesulfonate

2,3-dihydro-1H-indene;methanesulfonate (PubChem CID 19699408) has the molecular formula C10H13O3S- and a molecular weight of 213.28 g/mol. Its IUPAC name is 2,3-dihydro-1H-indene;methanesulfonate.

Molecular Properties

Compound Name2,3-dihydro-1H-indene;methanesulfonate
PubChem CID19699408
Molecular FormulaC10H13O3S-
Molecular Weight213.28 g/mol
Exact Mass213.06
IUPAC Name2,3-dihydro-1H-indene;methanesulfonate
SMILESCS(=O)(=O)[O-].c1ccc2c(c1)CCC2
InChIInChI=1S/C9H10.CH4O3S/c1-2-5-9-7-3-6-8(9)4-1;1-5(2,3)4/h1-2,4-5H,3,6-7H2;1H3,(H,2,3,4)/p-1
InChIKeyIZSYLNSLEMYLGC-UHFFFAOYSA-M
XLogP1.34
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

2,3-dihydro-1H-indene;methane
CID 158581717
2,3-dihydro-1H-indene;tetrahydrochloride
CID 175293615
2,3-dihydro-1H-indene;2-methylpropane
CID 91244867
2,3-dihydro-1H-indene;2,2-dimethylpropane
CID 91306466
1,2,3,4-tetrahydronaphthalene
CID 174531863
2,3-dihydro-1H-indene;2-methyl-2,3-dihydro-1H-indene
CID 159163740
acetaldehyde;2,3-dihydro-1H-indene;ethane;1,2,3,4-tetrahydronaphthalene
CID 158377760
ethane;6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 143018675
2,3-dihydro-1H-indene;hypobromous acid
CID 174544280
azane;1,2,3,4-tetrahydronaphthalene
CID 22598116
ethane;methanesulfonate;naphthalene
CID 91264574
8-methyl-6,7,8,9,10,11-hexahydro-5H-benzo[9]annulene
CID 123348757

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-indene;methanesulfonate?
The IUPAC name of 2,3-dihydro-1H-indene;methanesulfonate (CID 19699408) is 2,3-dihydro-1H-indene;methanesulfonate.
What is the SMILES notation for 2,3-dihydro-1H-indene;methanesulfonate?
The canonical SMILES for 2,3-dihydro-1H-indene;methanesulfonate is CS(=O)(=O)[O-].c1ccc2c(c1)CCC2.
What is the InChIKey of 2,3-dihydro-1H-indene;methanesulfonate?
The InChIKey is IZSYLNSLEMYLGC-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H10.CH4O3S/c1-2-5-9-7-3-6-8(9)4-1;1-5(2,3)4/h1-2,4-5H,3,6-7H2;1H3,(H,2,3,4)/p-1.
What are the key properties of 2,3-dihydro-1H-indene;methanesulfonate?
2,3-dihydro-1H-indene;methanesulfonate has a molecular weight of 213.28 g/mol, XLogP of 1.34, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-indene;methanesulfonate is sourced from PubChem (CID 19699408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).