1,2-dimethyl-3-prop-1-en-2-ylsulfanyl-4-propylbenzene

C14H20S — CID 143732231

IUPAC1,2-dimethyl-3-prop-1-en-2-ylsulfanyl-4-propylbenzene
SMILESC=C(C)Sc1c(CCC)ccc(C)c1C
InChIInChI=1S/C14H20S/c1-6-7-13-9-8-11(4)12(5)14(13)15-10(2)3/h8-9H,2,6-7H2,1,3-5H3
InChIKeyAQKUJCKMXXIQKR-UHFFFAOYSA-N
MW220.38 g/mol
LogP4.88
Rot. Bonds4

About 1,2-dimethyl-3-prop-1-en-2-ylsulfanyl-4-propylbenzene

1,2-dimethyl-3-prop-1-en-2-ylsulfanyl-4-propylbenzene (PubChem CID 143732231) has the molecular formula C14H20S and a molecular weight of 220.38 g/mol. Its IUPAC name is 1,2-dimethyl-3-prop-1-en-2-ylsulfanyl-4-propylbenzene.

Molecular Properties

Compound Name1,2-dimethyl-3-prop-1-en-2-ylsulfanyl-4-propylbenzene
PubChem CID143732231
Molecular FormulaC14H20S
Molecular Weight220.38 g/mol
Exact Mass220.13
IUPAC Name1,2-dimethyl-3-prop-1-en-2-ylsulfanyl-4-propylbenzene
SMILESC=C(C)Sc1c(CCC)ccc(C)c1C
InChIInChI=1S/C14H20S/c1-6-7-13-9-8-11(4)12(5)14(13)15-10(2)3/h8-9H,2,6-7H2,1,3-5H3
InChIKeyAQKUJCKMXXIQKR-UHFFFAOYSA-N
XLogP4.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.38
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-methyl-2-(3-methylbut-3-enyl)-3-propylaniline
CID 155697680
1-ethyl-2,3-dimethyl-4-propylbenzene
CID 86110138
hexan-2-one;1-methyl-2-propylbenzene
CID 144659527
1-(chloromethyl)-3,4-dimethyl-2-[2-(2-methylprop-2-enoxy)ethyl]benzene
CID 66936644
2,3-dimethyl-6-octylphenol
CID 141122420
1-(3-methyl-4-propylphenyl)ethanone
CID 118119464
1-(2-propylphenyl)ethenol
CID 89240118
1,4-dipropyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 139941681
2-ethyl-3-methyl-1,4-dipropylbenzene
CID 155697581
ethane;ethene;3-ethyl-1,2-dimethyl-4-propylbenzene;2-methylbut-1-ene;2-methylprop-1-ene;2-methylpropylbenzene;4-propan-2-ylheptane
CID 155697684
5-propyl-2-[(2,3,4-trimethylphenyl)methyl]-3,4-dihydro-2H-pyran
CID 118358949
7-methyl-4-(3-methylbut-2-enyl)-3-propyl-1H-indole
CID 170014015

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-prop-1-en-2-ylsulfanyl-4-propylbenzene?
The IUPAC name of 1,2-dimethyl-3-prop-1-en-2-ylsulfanyl-4-propylbenzene (CID 143732231) is 1,2-dimethyl-3-prop-1-en-2-ylsulfanyl-4-propylbenzene.
What is the SMILES notation for 1,2-dimethyl-3-prop-1-en-2-ylsulfanyl-4-propylbenzene?
The canonical SMILES for 1,2-dimethyl-3-prop-1-en-2-ylsulfanyl-4-propylbenzene is C=C(C)Sc1c(CCC)ccc(C)c1C.
What is the InChIKey of 1,2-dimethyl-3-prop-1-en-2-ylsulfanyl-4-propylbenzene?
The InChIKey is AQKUJCKMXXIQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20S/c1-6-7-13-9-8-11(4)12(5)14(13)15-10(2)3/h8-9H,2,6-7H2,1,3-5H3.
What are the key properties of 1,2-dimethyl-3-prop-1-en-2-ylsulfanyl-4-propylbenzene?
1,2-dimethyl-3-prop-1-en-2-ylsulfanyl-4-propylbenzene has a molecular weight of 220.38 g/mol, XLogP of 4.88, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-prop-1-en-2-ylsulfanyl-4-propylbenzene is sourced from PubChem (CID 143732231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).