7-(diethylamino)-4-ethylchromene-2-thione

C15H19NOS — CID 162436645

IUPAC7-(diethylamino)-4-ethylchromene-2-thione
SMILESCCc1cc(=S)oc2cc(N(CC)CC)ccc12
InChIInChI=1S/C15H19NOS/c1-4-11-9-15(18)17-14-10-12(7-8-13(11)14)16(5-2)6-3/h7-10H,4-6H2,1-3H3
InChIKeyUVSCTJNGFFNVMI-UHFFFAOYSA-N
MW261.39 g/mol
LogP4.57
Rot. Bonds4

About 7-(diethylamino)-4-ethylchromene-2-thione

7-(diethylamino)-4-ethylchromene-2-thione (PubChem CID 162436645) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is 7-(diethylamino)-4-ethylchromene-2-thione.

Molecular Properties

Compound Name7-(diethylamino)-4-ethylchromene-2-thione
PubChem CID162436645
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC Name7-(diethylamino)-4-ethylchromene-2-thione
SMILESCCc1cc(=S)oc2cc(N(CC)CC)ccc12
InChIInChI=1S/C15H19NOS/c1-4-11-9-15(18)17-14-10-12(7-8-13(11)14)16(5-2)6-3/h7-10H,4-6H2,1-3H3
InChIKeyUVSCTJNGFFNVMI-UHFFFAOYSA-N
XLogP4.57
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

4-ethyl-7-methoxychromene-2-thione
CID 39732354
6,16-bis(diethylamino)-9,19-dioxapentacyclo[10.8.0.02,11.03,8.013,18]icosa-1(12),2(11),3(8),4,6,13(18),14,16-octaene-10,20-dione
CID 142217669
3-(diethylamino)benzo[c][1]benzoxepine-6,11-dione
CID 10085865
3-bromo-4-chloro-7-(diethylamino)chromen-2-one
CID 648878
7-(diethylamino)-4-methylchromen-2-one sulfate
CID 23622381
7-(diethylamino)-5-methylchromen-2-one
CID 164804520
7-(diethylamino)-4-(5-hydroxy-1,3-dioxan-2-yl)chromen-2-one
CID 154718163
4-azido-7-(diethylamino)chromen-2-one
CID 91426340
sodium;7-(diethylamino)-4-methylchromen-2-one;hydride;sulfuric acid
CID 174050797
methyl 3-amino-6-(diethylamino)-1-benzofuran-2-carboxylate
CID 67199835
7-(diethylamino)-5-(trifluoromethyl)chromen-2-one
CID 87910268
N,N,5-triethyl-12H-benzo[a]phenoxazin-9-amine
CID 70022244

Frequently Asked Questions

What is the IUPAC name of 7-(diethylamino)-4-ethylchromene-2-thione?
The IUPAC name of 7-(diethylamino)-4-ethylchromene-2-thione (CID 162436645) is 7-(diethylamino)-4-ethylchromene-2-thione.
What is the SMILES notation for 7-(diethylamino)-4-ethylchromene-2-thione?
The canonical SMILES for 7-(diethylamino)-4-ethylchromene-2-thione is CCc1cc(=S)oc2cc(N(CC)CC)ccc12.
What is the InChIKey of 7-(diethylamino)-4-ethylchromene-2-thione?
The InChIKey is UVSCTJNGFFNVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS/c1-4-11-9-15(18)17-14-10-12(7-8-13(11)14)16(5-2)6-3/h7-10H,4-6H2,1-3H3.
What are the key properties of 7-(diethylamino)-4-ethylchromene-2-thione?
7-(diethylamino)-4-ethylchromene-2-thione has a molecular weight of 261.39 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(diethylamino)-4-ethylchromene-2-thione is sourced from PubChem (CID 162436645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).