1,2,3,5-tetramethyl-4-propylsulfanylcyclopenta-1,3-diene

C12H20S — CID 71347436

IUPAC1,2,3,5-tetramethyl-4-propylsulfanylcyclopenta-1,3-diene
SMILESCCCSC1=C(C)C(C)=C(C)C1C
InChIInChI=1S/C12H20S/c1-6-7-13-12-10(4)8(2)9(3)11(12)5/h10H,6-7H2,1-5H3
InChIKeyACDHFORTDHHRKP-UHFFFAOYSA-N
MW196.36 g/mol
LogP4.39
Rot. Bonds3

About 1,2,3,5-tetramethyl-4-propylsulfanylcyclopenta-1,3-diene

1,2,3,5-tetramethyl-4-propylsulfanylcyclopenta-1,3-diene (PubChem CID 71347436) has the molecular formula C12H20S and a molecular weight of 196.36 g/mol. Its IUPAC name is 1,2,3,5-tetramethyl-4-propylsulfanylcyclopenta-1,3-diene.

Molecular Properties

Compound Name1,2,3,5-tetramethyl-4-propylsulfanylcyclopenta-1,3-diene
PubChem CID71347436
Molecular FormulaC12H20S
Molecular Weight196.36 g/mol
Exact Mass196.13
IUPAC Name1,2,3,5-tetramethyl-4-propylsulfanylcyclopenta-1,3-diene
SMILESCCCSC1=C(C)C(C)=C(C)C1C
InChIInChI=1S/C12H20S/c1-6-7-13-12-10(4)8(2)9(3)11(12)5/h10H,6-7H2,1-5H3
InChIKeyACDHFORTDHHRKP-UHFFFAOYSA-N
XLogP4.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.36
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2,3,4-Tetramethyl-5-methylsulfanylcyclopenta-1,3-diene
CID 14064506
Tetramethyl(2-methylthioethyl)cyclopentadiene
CID 15769687
5-Tert-butylsulfanyl-1,2,3,4-tetramethylcyclopenta-1,3-diene
CID 15846890
Isobutyl furfuryl sulfide
CID 528331
2-[(2,3,4,5-Tetramethylcyclopenta-2,4-dien-1-yl)methyl]-1,3-dithiane
CID 11780077
1,2,3,4-Tetramethyl-5-propylsulfanylcyclopenta-1,3-diene
CID 15823249
5-propan-2-yl-2H-cyclopenta[b]thiophene
CID 17962543
2,3-Di(propan-2-ylidene)thiolane
CID 57564427
3,4-Di(propan-2-yl)-2,5-dihydrothiophene
CID 57632384
4,5-Di(propan-2-yl)-2,3-dihydrothiophene
CID 57632396
2,4-Dimethyl-3-propan-2-ylsulfanylpent-2-ene
CID 57879219
(3S)-2,3,4,5-tetramethyl-2,3-dihydrothiophene
CID 58531331

Frequently Asked Questions

What is the IUPAC name of 1,2,3,5-tetramethyl-4-propylsulfanylcyclopenta-1,3-diene?
The IUPAC name of 1,2,3,5-tetramethyl-4-propylsulfanylcyclopenta-1,3-diene (CID 71347436) is 1,2,3,5-tetramethyl-4-propylsulfanylcyclopenta-1,3-diene.
What is the SMILES notation for 1,2,3,5-tetramethyl-4-propylsulfanylcyclopenta-1,3-diene?
The canonical SMILES for 1,2,3,5-tetramethyl-4-propylsulfanylcyclopenta-1,3-diene is CCCSC1=C(C)C(C)=C(C)C1C.
What is the InChIKey of 1,2,3,5-tetramethyl-4-propylsulfanylcyclopenta-1,3-diene?
The InChIKey is ACDHFORTDHHRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20S/c1-6-7-13-12-10(4)8(2)9(3)11(12)5/h10H,6-7H2,1-5H3.
What are the key properties of 1,2,3,5-tetramethyl-4-propylsulfanylcyclopenta-1,3-diene?
1,2,3,5-tetramethyl-4-propylsulfanylcyclopenta-1,3-diene has a molecular weight of 196.36 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5-tetramethyl-4-propylsulfanylcyclopenta-1,3-diene is sourced from PubChem (CID 71347436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).