1-(10-benzylacridin-9-ylidene)ethanethiol

C22H19NS — CID 88935762

IUPAC1-(10-benzylacridin-9-ylidene)ethanethiol
SMILESCC(S)=C1c2ccccc2N(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C22H19NS/c1-16(24)22-18-11-5-7-13-20(18)23(15-17-9-3-2-4-10-17)21-14-8-6-12-19(21)22/h2-14,24H,15H2,1H3
InChIKeyKIUJCKKOBIUGDL-UHFFFAOYSA-N
MW329.47 g/mol
LogP6.05
Rot. Bonds2

About 1-(10-benzylacridin-9-ylidene)ethanethiol

1-(10-benzylacridin-9-ylidene)ethanethiol (PubChem CID 88935762) has the molecular formula C22H19NS and a molecular weight of 329.47 g/mol. Its IUPAC name is 1-(10-benzylacridin-9-ylidene)ethanethiol.

Molecular Properties

Compound Name1-(10-benzylacridin-9-ylidene)ethanethiol
PubChem CID88935762
Molecular FormulaC22H19NS
Molecular Weight329.47 g/mol
Exact Mass329.12
IUPAC Name1-(10-benzylacridin-9-ylidene)ethanethiol
SMILESCC(S)=C1c2ccccc2N(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C22H19NS/c1-16(24)22-18-11-5-7-13-20(18)23(15-17-9-3-2-4-10-17)21-14-8-6-12-19(21)22/h2-14,24H,15H2,1H3
InChIKeyKIUJCKKOBIUGDL-UHFFFAOYSA-N
XLogP6.05
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.47
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-3-propan-2-ylideneindol-2-one
CID 86011493
(10-benzylacridin-9-ylidene)-(4-methylphenyl)sulfonylmethanethiol
CID 89151753
3-[1-(10-benzylacridin-9-ylidene)ethylsulfanyl]propan-1-amine
CID 59215574
1-(10-phosphanylacridin-9-ylidene)ethanethiol
CID 89151752
10-benzyl-9-(methylsulfanylmethylidene)acridine
CID 142258120
3-acetyl-1-benzylquinoline-2,4-dione
CID 172882979
(2Z)-2-(1-benzyl-2-oxoindol-3-ylidene)-3,3,3-trifluoropropanoic acid
CID 175153636
(3Z)-1-benzyl-3-[(4-methoxyphenyl)-phenylmethylidene]indol-2-one
CID 101359125
(2Z)-2-(1-benzyl-2-oxoindol-3-ylidene)hexanenitrile
CID 102387405
10-benzylphenoselenazine
CID 21409567
(2Z)-2-(1-benzyl-2-oxoindol-3-ylidene)-2-(4-nitrophenyl)acetonitrile
CID 141335021
1,3-dibenzyl-3-hydroxyquinoline-2,4-dione
CID 11428277

Frequently Asked Questions

What is the IUPAC name of 1-(10-benzylacridin-9-ylidene)ethanethiol?
The IUPAC name of 1-(10-benzylacridin-9-ylidene)ethanethiol (CID 88935762) is 1-(10-benzylacridin-9-ylidene)ethanethiol.
What is the SMILES notation for 1-(10-benzylacridin-9-ylidene)ethanethiol?
The canonical SMILES for 1-(10-benzylacridin-9-ylidene)ethanethiol is CC(S)=C1c2ccccc2N(Cc2ccccc2)c2ccccc21.
What is the InChIKey of 1-(10-benzylacridin-9-ylidene)ethanethiol?
The InChIKey is KIUJCKKOBIUGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NS/c1-16(24)22-18-11-5-7-13-20(18)23(15-17-9-3-2-4-10-17)21-14-8-6-12-19(21)22/h2-14,24H,15H2,1H3.
What are the key properties of 1-(10-benzylacridin-9-ylidene)ethanethiol?
1-(10-benzylacridin-9-ylidene)ethanethiol has a molecular weight of 329.47 g/mol, XLogP of 6.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(10-benzylacridin-9-ylidene)ethanethiol is sourced from PubChem (CID 88935762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).