[2-bromoethylsulfanyl(phenyl)methyl]benzene

C15H15BrS — CID 90389506

IUPAC[2-bromoethylsulfanyl(phenyl)methyl]benzene
SMILESBrCCSC(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H15BrS/c16-11-12-17-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15H,11-12H2
InChIKeyMWBSHPKRMRSTJL-UHFFFAOYSA-N
MW307.26 g/mol
LogP4.90
Rot. Bonds5

About [2-bromoethylsulfanyl(phenyl)methyl]benzene

[2-bromoethylsulfanyl(phenyl)methyl]benzene (PubChem CID 90389506) has the molecular formula C15H15BrS and a molecular weight of 307.26 g/mol. Its IUPAC name is [2-bromoethylsulfanyl(phenyl)methyl]benzene.

Molecular Properties

Compound Name[2-bromoethylsulfanyl(phenyl)methyl]benzene
PubChem CID90389506
Molecular FormulaC15H15BrS
Molecular Weight307.26 g/mol
Exact Mass306.01
IUPAC Name[2-bromoethylsulfanyl(phenyl)methyl]benzene
SMILESBrCCSC(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H15BrS/c16-11-12-17-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15H,11-12H2
InChIKeyMWBSHPKRMRSTJL-UHFFFAOYSA-N
XLogP4.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.26
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-benzhydrylsulfanyl-N,N-dimethylethanamine
CID 3028320
N-(2-benzhydrylsulfanylethyl)-2-phenylethanamine
CID 10089066
3-benzhydrylsulfanyl-N-(2-phenylethyl)propan-1-amine
CID 86174012
N-(3-benzhydrylsulfanylpropyl)-3-phenylpropan-1-amine
CID 86174014
2-benzhydrylsulfanylethanethioamide
CID 118871449
2-[(4-ethylsulfanylphenyl)-phenylmethyl]sulfanyl-N,N-dimethylethanamine
CID 3028321
2-[(S)-(4-fluorophenyl)-phenylmethyl]sulfanylethanesulfonamide
CID 100749437
sodium 2-benzhydrylsulfanylacetate
CID 23709373
1-(2-benzhydrylsulfanylethyl)-4-(3-phenylpropyl)piperazine
CID 90389497
[(benzhydryltrisulfanyl)-phenylmethyl]benzene
CID 141498612
ethane;1-[(4-hydroxyphenyl)-phenylmethyl]sulfanylpropan-2-one
CID 142273293
2-[(S)-(4-butylsulfanylphenyl)-phenylmethyl]sulfanyl-N,N-dimethylethanamine
CID 76959959

Frequently Asked Questions

What is the IUPAC name of [2-bromoethylsulfanyl(phenyl)methyl]benzene?
The IUPAC name of [2-bromoethylsulfanyl(phenyl)methyl]benzene (CID 90389506) is [2-bromoethylsulfanyl(phenyl)methyl]benzene.
What is the SMILES notation for [2-bromoethylsulfanyl(phenyl)methyl]benzene?
The canonical SMILES for [2-bromoethylsulfanyl(phenyl)methyl]benzene is BrCCSC(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-bromoethylsulfanyl(phenyl)methyl]benzene?
The InChIKey is MWBSHPKRMRSTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrS/c16-11-12-17-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15H,11-12H2.
What are the key properties of [2-bromoethylsulfanyl(phenyl)methyl]benzene?
[2-bromoethylsulfanyl(phenyl)methyl]benzene has a molecular weight of 307.26 g/mol, XLogP of 4.90, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bromoethylsulfanyl(phenyl)methyl]benzene is sourced from PubChem (CID 90389506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).