2-[(3-bromophenyl)methylsulfanyl]acetamide

C9H10BrNOS — CID 875453

IUPAC2-[(3-bromophenyl)methylsulfanyl]acetamide
SMILESNC(=O)CSCc1cccc(Br)c1
InChIInChI=1S/C9H10BrNOS/c10-8-3-1-2-7(4-8)5-13-6-9(11)12/h1-4H,5-6H2,(H2,11,12)
InChIKeyLYYIDLLIXBYCTI-UHFFFAOYSA-N
MW260.16 g/mol
LogP2.17
Rot. Bonds4

About 2-[(3-bromophenyl)methylsulfanyl]acetamide

2-[(3-bromophenyl)methylsulfanyl]acetamide (PubChem CID 875453) has the molecular formula C9H10BrNOS and a molecular weight of 260.16 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound Name2-[(3-bromophenyl)methylsulfanyl]acetamide
PubChem CID875453
Molecular FormulaC9H10BrNOS
Molecular Weight260.16 g/mol
Exact Mass258.97
IUPAC Name2-[(3-bromophenyl)methylsulfanyl]acetamide
SMILESNC(=O)CSCc1cccc(Br)c1
InChIInChI=1S/C9H10BrNOS/c10-8-3-1-2-7(4-8)5-13-6-9(11)12/h1-4H,5-6H2,(H2,11,12)
InChIKeyLYYIDLLIXBYCTI-UHFFFAOYSA-N
XLogP2.17
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methylsulfanyl]acetamide?
The IUPAC name of 2-[(3-bromophenyl)methylsulfanyl]acetamide (CID 875453) is 2-[(3-bromophenyl)methylsulfanyl]acetamide.
What is the SMILES notation for 2-[(3-bromophenyl)methylsulfanyl]acetamide?
The canonical SMILES for 2-[(3-bromophenyl)methylsulfanyl]acetamide is NC(=O)CSCc1cccc(Br)c1.
What is the InChIKey of 2-[(3-bromophenyl)methylsulfanyl]acetamide?
The InChIKey is LYYIDLLIXBYCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNOS/c10-8-3-1-2-7(4-8)5-13-6-9(11)12/h1-4H,5-6H2,(H2,11,12).
What are the key properties of 2-[(3-bromophenyl)methylsulfanyl]acetamide?
2-[(3-bromophenyl)methylsulfanyl]acetamide has a molecular weight of 260.16 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 875453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).