7-amino-6-oxo-10-sulfanylbenzo[c]chromene-8-carbaldehyde

C14H9NO3S — CID 11601481

IUPAC7-amino-6-oxo-10-sulfanylbenzo[c]chromene-8-carbaldehyde
SMILESNc1c(C=O)cc(S)c2c1c(=O)oc1ccccc12
InChIInChI=1S/C14H9NO3S/c15-13-7(6-16)5-10(19)11-8-3-1-2-4-9(8)18-14(17)12(11)13/h1-6,19H,15H2
InChIKeyGROMCKJLHZPJAS-UHFFFAOYSA-N
MW271.30 g/mol
LogP2.63
Rot. Bonds1

About 7-amino-6-oxo-10-sulfanylbenzo[c]chromene-8-carbaldehyde

7-amino-6-oxo-10-sulfanylbenzo[c]chromene-8-carbaldehyde (PubChem CID 11601481) has the molecular formula C14H9NO3S and a molecular weight of 271.30 g/mol. Its IUPAC name is 7-amino-6-oxo-10-sulfanylbenzo[c]chromene-8-carbaldehyde.

Molecular Properties

Compound Name7-amino-6-oxo-10-sulfanylbenzo[c]chromene-8-carbaldehyde
PubChem CID11601481
Molecular FormulaC14H9NO3S
Molecular Weight271.30 g/mol
Exact Mass271.03
IUPAC Name7-amino-6-oxo-10-sulfanylbenzo[c]chromene-8-carbaldehyde
SMILESNc1c(C=O)cc(S)c2c1c(=O)oc1ccccc12
InChIInChI=1S/C14H9NO3S/c15-13-7(6-16)5-10(19)11-8-3-1-2-4-9(8)18-14(17)12(11)13/h1-6,19H,15H2
InChIKeyGROMCKJLHZPJAS-UHFFFAOYSA-N
XLogP2.63
TPSA73.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

8,17-dioxaheptacyclo[22.6.6.02,7.010,15.018,23.025,30.031,36]hexatriaconta-1(31),2,4,6,10,12,14,18,20,22,24(36),25,27,29,32,34-hexadecaene-9,16-dione
CID 59760668
8-amino-10-methoxybenzo[c]chromen-6-one
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3-amino-4-hydrazinylchromen-2-one
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4-hydroxy-3-sulfanylchromen-2-one
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4-amino-3-phenylchromen-2-one
CID 617040
2,3-dimethyl-[1]benzofuro[3,2-c]chromen-6-one
CID 102369758
4-oxo-1H-chromeno[4,3-b]pyrrole-2-carbaldehyde
CID 15530921
4-amino-1-ethylchromeno[3,4-c]pyridin-3-ium-5-one
CID 6954633
dibenzofuran-1,2-diamine
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naphtho[1,2-c]chromen-5-one
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4-(2-formylphenyl)-2-oxochromene-3-carboxylate
CID 57367276

Frequently Asked Questions

What is the IUPAC name of 7-amino-6-oxo-10-sulfanylbenzo[c]chromene-8-carbaldehyde?
The IUPAC name of 7-amino-6-oxo-10-sulfanylbenzo[c]chromene-8-carbaldehyde (CID 11601481) is 7-amino-6-oxo-10-sulfanylbenzo[c]chromene-8-carbaldehyde.
What is the SMILES notation for 7-amino-6-oxo-10-sulfanylbenzo[c]chromene-8-carbaldehyde?
The canonical SMILES for 7-amino-6-oxo-10-sulfanylbenzo[c]chromene-8-carbaldehyde is Nc1c(C=O)cc(S)c2c1c(=O)oc1ccccc12.
What is the InChIKey of 7-amino-6-oxo-10-sulfanylbenzo[c]chromene-8-carbaldehyde?
The InChIKey is GROMCKJLHZPJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO3S/c15-13-7(6-16)5-10(19)11-8-3-1-2-4-9(8)18-14(17)12(11)13/h1-6,19H,15H2.
What are the key properties of 7-amino-6-oxo-10-sulfanylbenzo[c]chromene-8-carbaldehyde?
7-amino-6-oxo-10-sulfanylbenzo[c]chromene-8-carbaldehyde has a molecular weight of 271.30 g/mol, XLogP of 2.63, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-6-oxo-10-sulfanylbenzo[c]chromene-8-carbaldehyde is sourced from PubChem (CID 11601481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).