6,8-dibromo-4-chloro-2-methylsulfanylquinazoline

C9H5Br2ClN2S — CID 114692809

IUPAC6,8-dibromo-4-chloro-2-methylsulfanylquinazoline
SMILESCSc1nc(Cl)c2cc(Br)cc(Br)c2n1
InChIInChI=1S/C9H5Br2ClN2S/c1-15-9-13-7-5(8(12)14-9)2-4(10)3-6(7)11/h2-3H,1H3
InChIKeyRBZQSCCOZVDAGE-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.53
Rot. Bonds1

About 6,8-dibromo-4-chloro-2-methylsulfanylquinazoline

6,8-dibromo-4-chloro-2-methylsulfanylquinazoline (PubChem CID 114692809) has the molecular formula C9H5Br2ClN2S and a molecular weight of 368.48 g/mol. Its IUPAC name is 6,8-dibromo-4-chloro-2-methylsulfanylquinazoline.

Molecular Properties

Compound Name6,8-dibromo-4-chloro-2-methylsulfanylquinazoline
PubChem CID114692809
Molecular FormulaC9H5Br2ClN2S
Molecular Weight368.48 g/mol
Exact Mass365.82
IUPAC Name6,8-dibromo-4-chloro-2-methylsulfanylquinazoline
SMILESCSc1nc(Cl)c2cc(Br)cc(Br)c2n1
InChIInChI=1S/C9H5Br2ClN2S/c1-15-9-13-7-5(8(12)14-9)2-4(10)3-6(7)11/h2-3H,1H3
InChIKeyRBZQSCCOZVDAGE-UHFFFAOYSA-N
XLogP4.53
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-bromo-4-chloro-5,8-difluoro-2-methylsulfanylquinazoline
CID 169181849
6,8-dibromo-4-chloro-2-cyclopropylquinazoline
CID 106584417
6,8-dibromo-4-chloro-2-(2-methylphenyl)quinazoline
CID 63497501
6,8-dibromo-4-chloro-2-(5-chloro-2-methylphenyl)quinazoline
CID 82870561
6,8-dibromo-4-chloro-2-(2,4-dimethylphenyl)quinazoline
CID 63497676
7-bromo-1-chloro-5-fluoro-3-methylisoquinoline
CID 114517527
6,8-dibromo-2-(5-bromothiophen-3-yl)-4-chloroquinazoline
CID 107960351
4,6-dichloro-5-methoxy-2-methylsulfanylpyrimidine
CID 15003627
6,8-dibromo-2-chloro-N,N-dimethylquinazolin-4-amine
CID 114692808
6-bromo-4-chloro-2-(difluoromethyl)-8-fluoroquinazoline
CID 114590969
8-bromo-4,6-dichloro-2-propylquinazoline
CID 106583968
(8-bromo-4-chloro-6-methylquinazolin-2-yl)methanol
CID 174656084

Frequently Asked Questions

What is the IUPAC name of 6,8-dibromo-4-chloro-2-methylsulfanylquinazoline?
The IUPAC name of 6,8-dibromo-4-chloro-2-methylsulfanylquinazoline (CID 114692809) is 6,8-dibromo-4-chloro-2-methylsulfanylquinazoline.
What is the SMILES notation for 6,8-dibromo-4-chloro-2-methylsulfanylquinazoline?
The canonical SMILES for 6,8-dibromo-4-chloro-2-methylsulfanylquinazoline is CSc1nc(Cl)c2cc(Br)cc(Br)c2n1.
What is the InChIKey of 6,8-dibromo-4-chloro-2-methylsulfanylquinazoline?
The InChIKey is RBZQSCCOZVDAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Br2ClN2S/c1-15-9-13-7-5(8(12)14-9)2-4(10)3-6(7)11/h2-3H,1H3.
What are the key properties of 6,8-dibromo-4-chloro-2-methylsulfanylquinazoline?
6,8-dibromo-4-chloro-2-methylsulfanylquinazoline has a molecular weight of 368.48 g/mol, XLogP of 4.53, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dibromo-4-chloro-2-methylsulfanylquinazoline is sourced from PubChem (CID 114692809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).