1-methylsulfanylpropylsulfonylbenzene

C10H14O2S2 — CID 10680987

IUPAC1-methylsulfanylpropylsulfonylbenzene
SMILESCCC(SC)S(=O)(=O)c1ccccc1
InChIInChI=1S/C10H14O2S2/c1-3-10(13-2)14(11,12)9-7-5-4-6-8-9/h4-8,10H,3H2,1-2H3
InChIKeyRBXHPIZTCCVEOQ-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.56
Rot. Bonds4

About 1-methylsulfanylpropylsulfonylbenzene

1-methylsulfanylpropylsulfonylbenzene (PubChem CID 10680987) has the molecular formula C10H14O2S2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 1-methylsulfanylpropylsulfonylbenzene.

Molecular Properties

Compound Name1-methylsulfanylpropylsulfonylbenzene
PubChem CID10680987
Molecular FormulaC10H14O2S2
Molecular Weight230.35 g/mol
Exact Mass230.04
IUPAC Name1-methylsulfanylpropylsulfonylbenzene
SMILESCCC(SC)S(=O)(=O)c1ccccc1
InChIInChI=1S/C10H14O2S2/c1-3-10(13-2)14(11,12)9-7-5-4-6-8-9/h4-8,10H,3H2,1-2H3
InChIKeyRBXHPIZTCCVEOQ-UHFFFAOYSA-N
XLogP2.56
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[1-(benzenesulfonyl)-2-chloroethyl]sulfanyl-2-chloroethyl]sulfonylbenzene
CID 54271033
(2R)-2-(benzenesulfonyl)butanoic acid
CID 92981674
2-(benzenesulfonyl)pentan-3-ol
CID 62918399
(2-methylsulfanyl-2-methylsulfonylethyl)benzene
CID 12739547
3-(benzenesulfonyl)heptan-4-ol
CID 62918058
1-bromoethylsulfonylbenzene
CID 13411545
4-(benzenesulfonyloxy)hexan-3-yl benzenesulfonate
CID 89440686
1,2-bis(benzenesulfonyl)ethane-1,2-diol
CID 158874761
N-[1,5-bis(benzenesulfonyl)-5-(butanoylamino)pentyl]butanamide
CID 12012269
1-methyl-4-[(3E,6E)-1-methylsulfanylnona-3,6-dienyl]sulfonylbenzene
CID 21353108
benzenesulfonylbenzene;1,1'-biphenyl;ethoxyethane
CID 67285974
2,2,6,6-tetramethylheptan-4-ylsulfonylbenzene
CID 102144824

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfanylpropylsulfonylbenzene?
The IUPAC name of 1-methylsulfanylpropylsulfonylbenzene (CID 10680987) is 1-methylsulfanylpropylsulfonylbenzene.
What is the SMILES notation for 1-methylsulfanylpropylsulfonylbenzene?
The canonical SMILES for 1-methylsulfanylpropylsulfonylbenzene is CCC(SC)S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-methylsulfanylpropylsulfonylbenzene?
The InChIKey is RBXHPIZTCCVEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2S2/c1-3-10(13-2)14(11,12)9-7-5-4-6-8-9/h4-8,10H,3H2,1-2H3.
What are the key properties of 1-methylsulfanylpropylsulfonylbenzene?
1-methylsulfanylpropylsulfonylbenzene has a molecular weight of 230.35 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfanylpropylsulfonylbenzene is sourced from PubChem (CID 10680987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).