(2-ethyl-3-methylbutyl)sulfanylbenzene

C13H20S — CID 10899831

IUPAC(2-ethyl-3-methylbutyl)sulfanylbenzene
SMILESCCC(CSc1ccccc1)C(C)C
InChIInChI=1S/C13H20S/c1-4-12(11(2)3)10-14-13-8-6-5-7-9-13/h5-9,11-12H,4,10H2,1-3H3
InChIKeyHBNMQBRTPWWYFU-UHFFFAOYSA-N
MW208.37 g/mol
LogP4.46
Rot. Bonds5

About (2-ethyl-3-methylbutyl)sulfanylbenzene

(2-ethyl-3-methylbutyl)sulfanylbenzene (PubChem CID 10899831) has the molecular formula C13H20S and a molecular weight of 208.37 g/mol. Its IUPAC name is (2-ethyl-3-methylbutyl)sulfanylbenzene.

Molecular Properties

Compound Name(2-ethyl-3-methylbutyl)sulfanylbenzene
PubChem CID10899831
Molecular FormulaC13H20S
Molecular Weight208.37 g/mol
Exact Mass208.13
IUPAC Name(2-ethyl-3-methylbutyl)sulfanylbenzene
SMILESCCC(CSc1ccccc1)C(C)C
InChIInChI=1S/C13H20S/c1-4-12(11(2)3)10-14-13-8-6-5-7-9-13/h5-9,11-12H,4,10H2,1-3H3
InChIKeyHBNMQBRTPWWYFU-UHFFFAOYSA-N
XLogP4.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.37
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-phenylsulfanylbutan-2-amine
CID 24973194
3-methyl-1-phenylsulfanylpentan-2-ol
CID 79444974
[(2S)-2-ethyl-3-methylbutyl]benzene
CID 59911229
ethane;(2-ethyl-3-methylbutyl)benzene
CID 166139706
ethylsulfanylbenzene;dihydrochloride
CID 18353835
2-[2-(bromomethyl)-3-methylbutyl]sulfanylnaphthalene
CID 65011948
tert-butylbenzene;3-ethyl-2-methylpentane
CID 177346689
4-methyl-1-phenylsulfanylpentan-2-amine
CID 65142507
S-phenyl 3-hydroxy-4-methyl-2-(phenylsulfanylmethyl)pentanethioate
CID 102028171
N-ethyl-4-methyl-1-phenylsulfanylpentan-2-amine
CID 65143197
[(2S)-butan-2-yl]sulfanylbenzene
CID 12812299
2-phenylsulfanyl-1-(4-propan-2-ylphenyl)ethanol
CID 60981441

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-3-methylbutyl)sulfanylbenzene?
The IUPAC name of (2-ethyl-3-methylbutyl)sulfanylbenzene (CID 10899831) is (2-ethyl-3-methylbutyl)sulfanylbenzene.
What is the SMILES notation for (2-ethyl-3-methylbutyl)sulfanylbenzene?
The canonical SMILES for (2-ethyl-3-methylbutyl)sulfanylbenzene is CCC(CSc1ccccc1)C(C)C.
What is the InChIKey of (2-ethyl-3-methylbutyl)sulfanylbenzene?
The InChIKey is HBNMQBRTPWWYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20S/c1-4-12(11(2)3)10-14-13-8-6-5-7-9-13/h5-9,11-12H,4,10H2,1-3H3.
What are the key properties of (2-ethyl-3-methylbutyl)sulfanylbenzene?
(2-ethyl-3-methylbutyl)sulfanylbenzene has a molecular weight of 208.37 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-3-methylbutyl)sulfanylbenzene is sourced from PubChem (CID 10899831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).