2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]thiophene

C12H11BrOS2 — CID 55137803

IUPAC2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]thiophene
SMILESCOc1ccc(Br)cc1CSc1cccs1
InChIInChI=1S/C12H11BrOS2/c1-14-11-5-4-10(13)7-9(11)8-16-12-3-2-6-15-12/h2-7H,8H2,1H3
InChIKeyZMJPBPLUHOLIEV-UHFFFAOYSA-N
MW315.26 g/mol
LogP4.81
Rot. Bonds4

About 2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]thiophene

2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]thiophene (PubChem CID 55137803) has the molecular formula C12H11BrOS2 and a molecular weight of 315.26 g/mol. Its IUPAC name is 2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]thiophene.

Molecular Properties

Compound Name2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]thiophene
PubChem CID55137803
Molecular FormulaC12H11BrOS2
Molecular Weight315.26 g/mol
Exact Mass313.94
IUPAC Name2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]thiophene
SMILESCOc1ccc(Br)cc1CSc1cccs1
InChIInChI=1S/C12H11BrOS2/c1-14-11-5-4-10(13)7-9(11)8-16-12-3-2-6-15-12/h2-7H,8H2,1H3
InChIKeyZMJPBPLUHOLIEV-UHFFFAOYSA-N
XLogP4.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.26
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]-5-ethylsulfanyl-1,3,4-thiadiazole
CID 47115897
3-[(5-bromo-2-methoxyphenyl)methylsulfanyl]aniline
CID 79133877
4-[(5-bromo-2-methoxyphenyl)methylsulfanyl]thiophene-2-carboxylic acid
CID 79139067
2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]quinoline
CID 69237606
4-bromo-2-[4-(5-bromo-2-methoxyphenyl)butyl]-1-methoxybenzene
CID 10693794
2-[2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetic acid
CID 60708887
4-bromo-2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]benzoic acid
CID 115382068
3-[(5-bromo-2-methoxyphenyl)methylsulfanyl]-4-methylaniline
CID 79140891
2-benzyl-5-[(5-bromo-2-methoxyphenyl)methylsulfanyl]-1,3,4-oxadiazole
CID 17483144
5-bromo-2-[(2,5-dimethoxyphenyl)methylsulfanyl]aniline
CID 43305831
6-[(5-bromo-2-methoxyphenyl)methylsulfanyl]pyridin-3-amine
CID 54971788
2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]ethanamine;hydrochloride
CID 17384253

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]thiophene?
The IUPAC name of 2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]thiophene (CID 55137803) is 2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]thiophene.
What is the SMILES notation for 2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]thiophene?
The canonical SMILES for 2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]thiophene is COc1ccc(Br)cc1CSc1cccs1.
What is the InChIKey of 2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]thiophene?
The InChIKey is ZMJPBPLUHOLIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrOS2/c1-14-11-5-4-10(13)7-9(11)8-16-12-3-2-6-15-12/h2-7H,8H2,1H3.
What are the key properties of 2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]thiophene?
2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]thiophene has a molecular weight of 315.26 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]thiophene is sourced from PubChem (CID 55137803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).