bis(4-propylthiophen-2-yl)methanone

C15H18OS2 — CID 67902455

IUPACbis(4-propylthiophen-2-yl)methanone
SMILESCCCc1csc(C(=O)c2cc(CCC)cs2)c1
InChIInChI=1S/C15H18OS2/c1-3-5-11-7-13(17-9-11)15(16)14-8-12(6-4-2)10-18-14/h7-10H,3-6H2,1-2H3
InChIKeyBYVIAQHWDJPULB-UHFFFAOYSA-N
MW278.44 g/mol
LogP4.95
Rot. Bonds6

About bis(4-propylthiophen-2-yl)methanone

bis(4-propylthiophen-2-yl)methanone (PubChem CID 67902455) has the molecular formula C15H18OS2 and a molecular weight of 278.44 g/mol. Its IUPAC name is bis(4-propylthiophen-2-yl)methanone.

Molecular Properties

Compound Namebis(4-propylthiophen-2-yl)methanone
PubChem CID67902455
Molecular FormulaC15H18OS2
Molecular Weight278.44 g/mol
Exact Mass278.08
IUPAC Namebis(4-propylthiophen-2-yl)methanone
SMILESCCCc1csc(C(=O)c2cc(CCC)cs2)c1
InChIInChI=1S/C15H18OS2/c1-3-5-11-7-13(17-9-11)15(16)14-8-12(6-4-2)10-18-14/h7-10H,3-6H2,1-2H3
InChIKeyBYVIAQHWDJPULB-UHFFFAOYSA-N
XLogP4.95
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-dodecylthiophene-2-carboxylic acid
CID 70496185
4-[(4-propylphenoxy)methyl]thiophene-2-carboxylic acid
CID 19620562
4-ethylthiophene-2-carbonyl chloride
CID 130405641
ethane;methyl 4-ethylthiophene-2-carboxylate
CID 143588427
4-(4-propylphenoxy)thiophene-2-carboxylic acid
CID 113404042
[4-[2-(dimethylamino)ethyl]thiophen-2-yl]-naphthalen-1-ylmethanone
CID 67296910
ethyl 4-(bromomethyl)thiophene-2-carboxylate
CID 18789514
[4-(aminomethyl)thiophen-2-yl]-phenylmethanone
CID 12574077
1-(4-propyl-2-pyridinyl)ethanone
CID 23003444
3-(3,5-dipropylphenyl)propanoic acid
CID 58963924
1,1-bis(4-hexylthiophen-2-yl)propan-2-one
CID 118412629
(4,5-dibromothiophen-2-yl)-(4-propylphenyl)methanone
CID 80536800

Frequently Asked Questions

What is the IUPAC name of bis(4-propylthiophen-2-yl)methanone?
The IUPAC name of bis(4-propylthiophen-2-yl)methanone (CID 67902455) is bis(4-propylthiophen-2-yl)methanone.
What is the SMILES notation for bis(4-propylthiophen-2-yl)methanone?
The canonical SMILES for bis(4-propylthiophen-2-yl)methanone is CCCc1csc(C(=O)c2cc(CCC)cs2)c1.
What is the InChIKey of bis(4-propylthiophen-2-yl)methanone?
The InChIKey is BYVIAQHWDJPULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18OS2/c1-3-5-11-7-13(17-9-11)15(16)14-8-12(6-4-2)10-18-14/h7-10H,3-6H2,1-2H3.
What are the key properties of bis(4-propylthiophen-2-yl)methanone?
bis(4-propylthiophen-2-yl)methanone has a molecular weight of 278.44 g/mol, XLogP of 4.95, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-propylthiophen-2-yl)methanone is sourced from PubChem (CID 67902455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).