1-methoxy-4-(113C)methylsulfinylbenzene

C8H10O2S — CID 58500277

IUPAC1-methoxy-4-(113C)methylsulfinylbenzene
SMILESCOc1ccc(S([13CH3])=O)cc1
InChIInChI=1S/C8H10O2S/c1-10-7-3-5-8(6-4-7)11(2)9/h3-6H,1-2H3/i2+1
InChIKeyXSFFUNMJITWEEA-VQEHIDDOSA-N
MW171.23 g/mol
LogP1.43
Rot. Bonds2

About 1-methoxy-4-(113C)methylsulfinylbenzene

1-methoxy-4-(113C)methylsulfinylbenzene (PubChem CID 58500277) has the molecular formula C8H10O2S and a molecular weight of 171.23 g/mol. Its IUPAC name is 1-methoxy-4-(113C)methylsulfinylbenzene.

Molecular Properties

Compound Name1-methoxy-4-(113C)methylsulfinylbenzene
PubChem CID58500277
Molecular FormulaC8H10O2S
Molecular Weight171.23 g/mol
Exact Mass171.04
IUPAC Name1-methoxy-4-(113C)methylsulfinylbenzene
SMILESCOc1ccc(S([13CH3])=O)cc1
InChIInChI=1S/C8H10O2S/c1-10-7-3-5-8(6-4-7)11(2)9/h3-6H,1-2H3/i2+1
InChIKeyXSFFUNMJITWEEA-VQEHIDDOSA-N
XLogP1.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.23
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-methoxy-4-(113C)methylsulfinylbenzene 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

N-(4-methoxyphenyl)-4-methylsulfinylbenzamide
CID 51191498
(4-methoxyphenyl) 4-methoxybenzenesulfinate
CID 20694096
1-(4-iodophenoxy)-4-methylsulfinylbenzene
CID 118066659
1-(difluoromethoxy)-4-methylsulfinylbenzene;hydrate
CID 156822834
phenyl 4-methoxybenzenesulfinate
CID 20694097
1-(2-fluoroethoxy)-4-methylsulfinylbenzene
CID 15058664
1-methoxy-4-(methylsulfinylmethoxy)benzene
CID 14224435
(1S)-1-cyclopropyl-1-(4-methoxyphenyl)-N-[[4-[(S)-methylsulfinyl]phenyl]methyl]methanamine
CID 95973403
1-(1-deuterio-1-protio(113C)ethyl)sulfinyl-4-methoxybenzene
CID 58500304
CID 123682153
CID 123682153
1-bromo-4-methylsulfinylbenzene
CID 3013958
methyl 4-methylsulfinylbenzoate
CID 14089753

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-(113C)methylsulfinylbenzene?
The IUPAC name of 1-methoxy-4-(113C)methylsulfinylbenzene (CID 58500277) is 1-methoxy-4-(113C)methylsulfinylbenzene.
What is the SMILES notation for 1-methoxy-4-(113C)methylsulfinylbenzene?
The canonical SMILES for 1-methoxy-4-(113C)methylsulfinylbenzene is COc1ccc(S([13CH3])=O)cc1.
What is the InChIKey of 1-methoxy-4-(113C)methylsulfinylbenzene?
The InChIKey is XSFFUNMJITWEEA-VQEHIDDOSA-N. The full InChI is InChI=1S/C8H10O2S/c1-10-7-3-5-8(6-4-7)11(2)9/h3-6H,1-2H3/i2+1.
What are the key properties of 1-methoxy-4-(113C)methylsulfinylbenzene?
1-methoxy-4-(113C)methylsulfinylbenzene has a molecular weight of 171.23 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-(113C)methylsulfinylbenzene is sourced from PubChem (CID 58500277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).