2,4-bis(methylsulfanyl)-5,6,7,8-tetrahydroquinazoline

C10H14N2S2 — CID 10059608

IUPAC2,4-bis(methylsulfanyl)-5,6,7,8-tetrahydroquinazoline
SMILESCSc1nc2c(c(SC)n1)CCCC2
InChIInChI=1S/C10H14N2S2/c1-13-9-7-5-3-4-6-8(7)11-10(12-9)14-2/h3-6H2,1-2H3
InChIKeyDYSRWLGCPNJMGR-UHFFFAOYSA-N
MW226.37 g/mol
LogP2.80
Rot. Bonds2

About 2,4-bis(methylsulfanyl)-5,6,7,8-tetrahydroquinazoline

2,4-bis(methylsulfanyl)-5,6,7,8-tetrahydroquinazoline (PubChem CID 10059608) has the molecular formula C10H14N2S2 and a molecular weight of 226.37 g/mol. Its IUPAC name is 2,4-bis(methylsulfanyl)-5,6,7,8-tetrahydroquinazoline.

Molecular Properties

Compound Name2,4-bis(methylsulfanyl)-5,6,7,8-tetrahydroquinazoline
PubChem CID10059608
Molecular FormulaC10H14N2S2
Molecular Weight226.37 g/mol
Exact Mass226.06
IUPAC Name2,4-bis(methylsulfanyl)-5,6,7,8-tetrahydroquinazoline
SMILESCSc1nc2c(c(SC)n1)CCCC2
InChIInChI=1S/C10H14N2S2/c1-13-9-7-5-3-4-6-8(7)11-10(12-9)14-2/h3-6H2,1-2H3
InChIKeyDYSRWLGCPNJMGR-UHFFFAOYSA-N
XLogP2.80
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.37
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(methylsulfanyl)-5,6,7,8-tetrahydroquinazoline?
The IUPAC name of 2,4-bis(methylsulfanyl)-5,6,7,8-tetrahydroquinazoline (CID 10059608) is 2,4-bis(methylsulfanyl)-5,6,7,8-tetrahydroquinazoline.
What is the SMILES notation for 2,4-bis(methylsulfanyl)-5,6,7,8-tetrahydroquinazoline?
The canonical SMILES for 2,4-bis(methylsulfanyl)-5,6,7,8-tetrahydroquinazoline is CSc1nc2c(c(SC)n1)CCCC2.
What is the InChIKey of 2,4-bis(methylsulfanyl)-5,6,7,8-tetrahydroquinazoline?
The InChIKey is DYSRWLGCPNJMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2S2/c1-13-9-7-5-3-4-6-8(7)11-10(12-9)14-2/h3-6H2,1-2H3.
What are the key properties of 2,4-bis(methylsulfanyl)-5,6,7,8-tetrahydroquinazoline?
2,4-bis(methylsulfanyl)-5,6,7,8-tetrahydroquinazoline has a molecular weight of 226.37 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(methylsulfanyl)-5,6,7,8-tetrahydroquinazoline is sourced from PubChem (CID 10059608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).