[(2S)-butan-2-yl]sulfanylbenzene

C10H14S — CID 12812299

IUPAC[(2S)-butan-2-yl]sulfanylbenzene
SMILESCC[C@H](C)Sc1ccccc1
InChIInChI=1S/C10H14S/c1-3-9(2)11-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3/t9-/m0/s1
InChIKeyYKLUJQMOFAXHHI-VIFPVBQESA-N
MW166.29 g/mol
LogP3.58
Rot. Bonds3

About [(2S)-butan-2-yl]sulfanylbenzene

[(2S)-butan-2-yl]sulfanylbenzene (PubChem CID 12812299) has the molecular formula C10H14S and a molecular weight of 166.29 g/mol. Its IUPAC name is [(2S)-butan-2-yl]sulfanylbenzene.

Molecular Properties

Compound Name[(2S)-butan-2-yl]sulfanylbenzene
PubChem CID12812299
Molecular FormulaC10H14S
Molecular Weight166.29 g/mol
Exact Mass166.08
IUPAC Name[(2S)-butan-2-yl]sulfanylbenzene
SMILESCC[C@H](C)Sc1ccccc1
InChIInChI=1S/C10H14S/c1-3-9(2)11-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3/t9-/m0/s1
InChIKeyYKLUJQMOFAXHHI-VIFPVBQESA-N
XLogP3.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.29
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze [(2S)-butan-2-yl]sulfanylbenzene 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

1-fluoropropan-2-ylsulfanylbenzene
CID 15563457
1-butan-2-ylsulfanyl-3-fluorobenzene
CID 131103530
5-phenylsulfanylhexan-3-one
CID 11275800
N-(2-phenylsulfanylpropyl)ethanesulfonamide
CID 71997201
1-(1-phenylsulfanylpropylamino)ethanol
CID 23342184
2-(4-butan-2-ylsulfanylphenyl)sulfanylethanol
CID 15662558
1-(4-butan-2-ylsulfanylphenoxy)ethanol
CID 70445939
(2R)-2-phenylsulfanylbutanoic acid
CID 10058517
1-butan-2-ylsulfanylnaphthalene
CID 46892889
methyl 3-phenylsulfanylbutanoate
CID 10750953
1-butan-2-ylsulfanyl-4-isocyanatobenzene
CID 20591456
2-phenylsulfanylpropyl acetate
CID 15563434

Frequently Asked Questions

What is the IUPAC name of [(2S)-butan-2-yl]sulfanylbenzene?
The IUPAC name of [(2S)-butan-2-yl]sulfanylbenzene (CID 12812299) is [(2S)-butan-2-yl]sulfanylbenzene.
What is the SMILES notation for [(2S)-butan-2-yl]sulfanylbenzene?
The canonical SMILES for [(2S)-butan-2-yl]sulfanylbenzene is CC[C@H](C)Sc1ccccc1.
What is the InChIKey of [(2S)-butan-2-yl]sulfanylbenzene?
The InChIKey is YKLUJQMOFAXHHI-VIFPVBQESA-N. The full InChI is InChI=1S/C10H14S/c1-3-9(2)11-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3/t9-/m0/s1.
What are the key properties of [(2S)-butan-2-yl]sulfanylbenzene?
[(2S)-butan-2-yl]sulfanylbenzene has a molecular weight of 166.29 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-butan-2-yl]sulfanylbenzene is sourced from PubChem (CID 12812299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).