methanesulfonic acid;molecular hydrogen;styrene

C9H14O3S — CID 158165849

IUPACmethanesulfonic acid;molecular hydrogen;styrene
SMILESC=Cc1ccccc1.CS(=O)(=O)O.[H][H]
InChIInChI=1S/C8H8.CH4O3S.H2/c1-2-8-6-4-3-5-7-8;1-5(2,3)4;/h2-7H,1H2;1H3,(H,2,3,4);1H
InChIKeyIVIFNMOPUWUADK-UHFFFAOYSA-N
MW202.28 g/mol
LogP2.08
Rot. Bonds1

About methanesulfonic acid;molecular hydrogen;styrene

methanesulfonic acid;molecular hydrogen;styrene (PubChem CID 158165849) has the molecular formula C9H14O3S and a molecular weight of 202.28 g/mol. Its IUPAC name is methanesulfonic acid;molecular hydrogen;styrene.

Molecular Properties

Compound Namemethanesulfonic acid;molecular hydrogen;styrene
PubChem CID158165849
Molecular FormulaC9H14O3S
Molecular Weight202.28 g/mol
Exact Mass202.07
IUPAC Namemethanesulfonic acid;molecular hydrogen;styrene
SMILESC=Cc1ccccc1.CS(=O)(=O)O.[H][H]
InChIInChI=1S/C8H8.CH4O3S.H2/c1-2-8-6-4-3-5-7-8;1-5(2,3)4;/h2-7H,1H2;1H3,(H,2,3,4);1H
InChIKeyIVIFNMOPUWUADK-UHFFFAOYSA-N
XLogP2.08
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze methanesulfonic acid;molecular hydrogen;styrene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Phenylmethylsulfonyl Fluoride
CID 4784
p-Toluenesulfonic acid
CID 6101
Benzylsulfonic acid
CID 7532
4-Ethylbenzenesulfonic acid
CID 7402
Benzenemethanesulfonamide
CID 78318
Phenylmethanesulfonyl chloride
CID 74740
Phenylmethanesulfinic acid
CID 3311411
alpha-(Methylsulphonyl)toluene
CID 76562
Potassium Xylenesulfonate
CID 23689308
2-Methylbenzenesulfonic acid
CID 6925
N-Benzylsulfonylhydroxylamin
CID 23645541
Benzeneethanesulfonamide
CID 204808

Frequently Asked Questions

What is the IUPAC name of methanesulfonic acid;molecular hydrogen;styrene?
The IUPAC name of methanesulfonic acid;molecular hydrogen;styrene (CID 158165849) is methanesulfonic acid;molecular hydrogen;styrene.
What is the SMILES notation for methanesulfonic acid;molecular hydrogen;styrene?
The canonical SMILES for methanesulfonic acid;molecular hydrogen;styrene is C=Cc1ccccc1.CS(=O)(=O)O.[H][H].
What is the InChIKey of methanesulfonic acid;molecular hydrogen;styrene?
The InChIKey is IVIFNMOPUWUADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8.CH4O3S.H2/c1-2-8-6-4-3-5-7-8;1-5(2,3)4;/h2-7H,1H2;1H3,(H,2,3,4);1H.
What are the key properties of methanesulfonic acid;molecular hydrogen;styrene?
methanesulfonic acid;molecular hydrogen;styrene has a molecular weight of 202.28 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanesulfonic acid;molecular hydrogen;styrene is sourced from PubChem (CID 158165849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).