2-methylsulfanyl-4-phenylsulfanyl-5,6,7,8-tetrahydroquinazoline

C15H16N2S2 — CID 1479775

IUPAC2-methylsulfanyl-4-phenylsulfanyl-5,6,7,8-tetrahydroquinazoline
SMILESCSc1nc2c(c(Sc3ccccc3)n1)CCCC2
InChIInChI=1S/C15H16N2S2/c1-18-15-16-13-10-6-5-9-12(13)14(17-15)19-11-7-3-2-4-8-11/h2-4,7-8H,5-6,9-10H2,1H3
InChIKeyCNVXWBMIIJYRQY-UHFFFAOYSA-N
MW288.44 g/mol
LogP4.23
Rot. Bonds3

About 2-methylsulfanyl-4-phenylsulfanyl-5,6,7,8-tetrahydroquinazoline

2-methylsulfanyl-4-phenylsulfanyl-5,6,7,8-tetrahydroquinazoline (PubChem CID 1479775) has the molecular formula C15H16N2S2 and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-methylsulfanyl-4-phenylsulfanyl-5,6,7,8-tetrahydroquinazoline.

Molecular Properties

Compound Name2-methylsulfanyl-4-phenylsulfanyl-5,6,7,8-tetrahydroquinazoline
PubChem CID1479775
Molecular FormulaC15H16N2S2
Molecular Weight288.44 g/mol
Exact Mass288.08
IUPAC Name2-methylsulfanyl-4-phenylsulfanyl-5,6,7,8-tetrahydroquinazoline
SMILESCSc1nc2c(c(Sc3ccccc3)n1)CCCC2
InChIInChI=1S/C15H16N2S2/c1-18-15-16-13-10-6-5-9-12(13)14(17-15)19-11-7-3-2-4-8-11/h2-4,7-8H,5-6,9-10H2,1H3
InChIKeyCNVXWBMIIJYRQY-UHFFFAOYSA-N
XLogP4.23
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-4-phenylsulfanyl-5,6,7,8-tetrahydroquinazoline?
The IUPAC name of 2-methylsulfanyl-4-phenylsulfanyl-5,6,7,8-tetrahydroquinazoline (CID 1479775) is 2-methylsulfanyl-4-phenylsulfanyl-5,6,7,8-tetrahydroquinazoline.
What is the SMILES notation for 2-methylsulfanyl-4-phenylsulfanyl-5,6,7,8-tetrahydroquinazoline?
The canonical SMILES for 2-methylsulfanyl-4-phenylsulfanyl-5,6,7,8-tetrahydroquinazoline is CSc1nc2c(c(Sc3ccccc3)n1)CCCC2.
What is the InChIKey of 2-methylsulfanyl-4-phenylsulfanyl-5,6,7,8-tetrahydroquinazoline?
The InChIKey is CNVXWBMIIJYRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2S2/c1-18-15-16-13-10-6-5-9-12(13)14(17-15)19-11-7-3-2-4-8-11/h2-4,7-8H,5-6,9-10H2,1H3.
What are the key properties of 2-methylsulfanyl-4-phenylsulfanyl-5,6,7,8-tetrahydroquinazoline?
2-methylsulfanyl-4-phenylsulfanyl-5,6,7,8-tetrahydroquinazoline has a molecular weight of 288.44 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-4-phenylsulfanyl-5,6,7,8-tetrahydroquinazoline is sourced from PubChem (CID 1479775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).