4-[(1S)-1-[9-[bis(methylsulfanyl)methylidene]acridin-10-yl]ethyl]phenol

C24H23NOS2 — CID 126698604

IUPAC4-[(1S)-1-[9-[bis(methylsulfanyl)methylidene]acridin-10-yl]ethyl]phenol
SMILESCSC(SC)=C1c2ccccc2N([C@@H](C)c2ccc(O)cc2)c2ccccc21
InChIInChI=1S/C24H23NOS2/c1-16(17-12-14-18(26)15-13-17)25-21-10-6-4-8-19(21)23(24(27-2)28-3)20-9-5-7-11-22(20)25/h4-16,26H,1-3H3/t16-/m0/s1
InChIKeyFHNUKHVKFBVJGJ-INIZCTEOSA-N
MW405.59 g/mol
LogP7.05
Rot. Bonds4

About 4-[(1S)-1-[9-[bis(methylsulfanyl)methylidene]acridin-10-yl]ethyl]phenol

4-[(1S)-1-[9-[bis(methylsulfanyl)methylidene]acridin-10-yl]ethyl]phenol (PubChem CID 126698604) has the molecular formula C24H23NOS2 and a molecular weight of 405.59 g/mol. Its IUPAC name is 4-[(1S)-1-[9-[bis(methylsulfanyl)methylidene]acridin-10-yl]ethyl]phenol.

Molecular Properties

Compound Name4-[(1S)-1-[9-[bis(methylsulfanyl)methylidene]acridin-10-yl]ethyl]phenol
PubChem CID126698604
Molecular FormulaC24H23NOS2
Molecular Weight405.59 g/mol
Exact Mass405.12
IUPAC Name4-[(1S)-1-[9-[bis(methylsulfanyl)methylidene]acridin-10-yl]ethyl]phenol
SMILESCSC(SC)=C1c2ccccc2N([C@@H](C)c2ccc(O)cc2)c2ccccc21
InChIInChI=1S/C24H23NOS2/c1-16(17-12-14-18(26)15-13-17)25-21-10-6-4-8-19(21)23(24(27-2)28-3)20-9-5-7-11-22(20)25/h4-16,26H,1-3H3/t16-/m0/s1
InChIKeyFHNUKHVKFBVJGJ-INIZCTEOSA-N
XLogP7.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.59
LogP ≤ 57.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-[9-[bis(methylsulfanyl)methylidene]acridin-10-yl]ethyl]phenol?
The IUPAC name of 4-[(1S)-1-[9-[bis(methylsulfanyl)methylidene]acridin-10-yl]ethyl]phenol (CID 126698604) is 4-[(1S)-1-[9-[bis(methylsulfanyl)methylidene]acridin-10-yl]ethyl]phenol.
What is the SMILES notation for 4-[(1S)-1-[9-[bis(methylsulfanyl)methylidene]acridin-10-yl]ethyl]phenol?
The canonical SMILES for 4-[(1S)-1-[9-[bis(methylsulfanyl)methylidene]acridin-10-yl]ethyl]phenol is CSC(SC)=C1c2ccccc2N([C@@H](C)c2ccc(O)cc2)c2ccccc21.
What is the InChIKey of 4-[(1S)-1-[9-[bis(methylsulfanyl)methylidene]acridin-10-yl]ethyl]phenol?
The InChIKey is FHNUKHVKFBVJGJ-INIZCTEOSA-N. The full InChI is InChI=1S/C24H23NOS2/c1-16(17-12-14-18(26)15-13-17)25-21-10-6-4-8-19(21)23(24(27-2)28-3)20-9-5-7-11-22(20)25/h4-16,26H,1-3H3/t16-/m0/s1.
What are the key properties of 4-[(1S)-1-[9-[bis(methylsulfanyl)methylidene]acridin-10-yl]ethyl]phenol?
4-[(1S)-1-[9-[bis(methylsulfanyl)methylidene]acridin-10-yl]ethyl]phenol has a molecular weight of 405.59 g/mol, XLogP of 7.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-[9-[bis(methylsulfanyl)methylidene]acridin-10-yl]ethyl]phenol is sourced from PubChem (CID 126698604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).