2,3-dipropylthiochromen-4-one

C15H18OS — CID 101499421

IUPAC2,3-dipropylthiochromen-4-one
SMILESCCCc1sc2ccccc2c(=O)c1CCC
InChIInChI=1S/C15H18OS/c1-3-7-11-13(8-4-2)17-14-10-6-5-9-12(14)15(11)16/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKeyBUBNSONIAPSKJN-UHFFFAOYSA-N
MW246.38 g/mol
LogP4.17
Rot. Bonds4

About 2,3-dipropylthiochromen-4-one

2,3-dipropylthiochromen-4-one (PubChem CID 101499421) has the molecular formula C15H18OS and a molecular weight of 246.38 g/mol. Its IUPAC name is 2,3-dipropylthiochromen-4-one.

Molecular Properties

Compound Name2,3-dipropylthiochromen-4-one
PubChem CID101499421
Molecular FormulaC15H18OS
Molecular Weight246.38 g/mol
Exact Mass246.11
IUPAC Name2,3-dipropylthiochromen-4-one
SMILESCCCc1sc2ccccc2c(=O)c1CCC
InChIInChI=1S/C15H18OS/c1-3-7-11-13(8-4-2)17-14-10-6-5-9-12(14)15(11)16/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKeyBUBNSONIAPSKJN-UHFFFAOYSA-N
XLogP4.17
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-propyl-1-benzothiophen-2-ol
CID 69483518
N-[(3-propyl-1-benzothiophen-2-yl)methyl]propan-2-amine
CID 114378013
3-butylthioxanthen-9-one
CID 122699511
3-(1-ethoxyethyl)-2-propyl-1-benzothiophene
CID 101433467
18,19-dipropyl-11,16,21,26-tetrathianonacyclo[18.14.0.02,17.03,15.04,12.05,10.022,34.025,33.027,32]tetratriaconta-1(20),2(17),3(15),4(12),5,7,9,13,18,22(34),23,25(33),27,29,31-pentadecaene
CID 132568977
1-methoxy-2-(2-methoxyethoxy)ethane;thioxanthen-9-one
CID 165009765
1-decylthioxanthen-9-one
CID 69239065
2-methyl-3-propyl-1H-quinolin-4-one
CID 826058
2-butyl-1-benzothiophene-3-sulfonamide
CID 18331900
1,1'-biphenyl;thioxanthen-9-one
CID 159774057
3-ethyl-1-benzothiophene-2-carbaldehyde
CID 82374273
3-bromo-2-methylthiochromen-4-one
CID 119090270

Frequently Asked Questions

What is the IUPAC name of 2,3-dipropylthiochromen-4-one?
The IUPAC name of 2,3-dipropylthiochromen-4-one (CID 101499421) is 2,3-dipropylthiochromen-4-one.
What is the SMILES notation for 2,3-dipropylthiochromen-4-one?
The canonical SMILES for 2,3-dipropylthiochromen-4-one is CCCc1sc2ccccc2c(=O)c1CCC.
What is the InChIKey of 2,3-dipropylthiochromen-4-one?
The InChIKey is BUBNSONIAPSKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18OS/c1-3-7-11-13(8-4-2)17-14-10-6-5-9-12(14)15(11)16/h5-6,9-10H,3-4,7-8H2,1-2H3.
What are the key properties of 2,3-dipropylthiochromen-4-one?
2,3-dipropylthiochromen-4-one has a molecular weight of 246.38 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dipropylthiochromen-4-one is sourced from PubChem (CID 101499421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).