ethane;1-methyl-3-propan-2-ylsulfanylbenzene

C12H20S — CID 172609121

IUPACethane;1-methyl-3-propan-2-ylsulfanylbenzene
SMILESCC.Cc1cccc(SC(C)C)c1
InChIInChI=1S/C10H14S.C2H6/c1-8(2)11-10-6-4-5-9(3)7-10;1-2/h4-8H,1-3H3;1-2H3
InChIKeyPPXRITUJYHBCHR-UHFFFAOYSA-N
MW196.36 g/mol
LogP4.52
Rot. Bonds2

About ethane;1-methyl-3-propan-2-ylsulfanylbenzene

ethane;1-methyl-3-propan-2-ylsulfanylbenzene (PubChem CID 172609121) has the molecular formula C12H20S and a molecular weight of 196.36 g/mol. Its IUPAC name is ethane;1-methyl-3-propan-2-ylsulfanylbenzene.

Molecular Properties

Compound Nameethane;1-methyl-3-propan-2-ylsulfanylbenzene
PubChem CID172609121
Molecular FormulaC12H20S
Molecular Weight196.36 g/mol
Exact Mass196.13
IUPAC Nameethane;1-methyl-3-propan-2-ylsulfanylbenzene
SMILESCC.Cc1cccc(SC(C)C)c1
InChIInChI=1S/C10H14S.C2H6/c1-8(2)11-10-6-4-5-9(3)7-10;1-2/h4-8H,1-3H3;1-2H3
InChIKeyPPXRITUJYHBCHR-UHFFFAOYSA-N
XLogP4.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.36
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-methylphenyl)sulfanylethanamine
CID 117032496
3-amino-2-(3-methylphenyl)sulfanylbutan-1-ol
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1-(3-methylphenyl)sulfanyl-1-phenylpropan-2-amine
CID 55017009
1,2-bis[(3-methylphenyl)sulfanyl]benzene
CID 58715664
ethane;1-(3-methylphenyl)sulfanylpropan-2-amine
CID 145087254
ethane;1,3-xylene
CID 54570178
3-hydroxy-2-(3-methylphenyl)sulfanylpropanoic acid
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S-(3-methylphenyl)thiohydroxylamine;pentahydrofluoride
CID 173046661
1-(3-methylphenyl)sulfanylpropan-2-ol
CID 61244165
N-methyl-1-(3-propan-2-ylsulfanylphenyl)ethanamine
CID 64663343
N-carbamoyl-2-(3-methylphenyl)sulfanylpropanamide
CID 47449269
1-(4-bromophenyl)-1-(3-methylphenyl)sulfanylpropan-2-amine
CID 55015807

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-3-propan-2-ylsulfanylbenzene?
The IUPAC name of ethane;1-methyl-3-propan-2-ylsulfanylbenzene (CID 172609121) is ethane;1-methyl-3-propan-2-ylsulfanylbenzene.
What is the SMILES notation for ethane;1-methyl-3-propan-2-ylsulfanylbenzene?
The canonical SMILES for ethane;1-methyl-3-propan-2-ylsulfanylbenzene is CC.Cc1cccc(SC(C)C)c1.
What is the InChIKey of ethane;1-methyl-3-propan-2-ylsulfanylbenzene?
The InChIKey is PPXRITUJYHBCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14S.C2H6/c1-8(2)11-10-6-4-5-9(3)7-10;1-2/h4-8H,1-3H3;1-2H3.
What are the key properties of ethane;1-methyl-3-propan-2-ylsulfanylbenzene?
ethane;1-methyl-3-propan-2-ylsulfanylbenzene has a molecular weight of 196.36 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-3-propan-2-ylsulfanylbenzene is sourced from PubChem (CID 172609121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).