2-(bromomethyl)-3-chloro-5-(2-methyl-1-nitrosopropyl)thiophene

C9H11BrClNOS — CID 57224673

IUPAC2-(bromomethyl)-3-chloro-5-(2-methyl-1-nitrosopropyl)thiophene
SMILESCC(C)C(N=O)c1cc(Cl)c(CBr)s1
InChIInChI=1S/C9H11BrClNOS/c1-5(2)9(12-13)7-3-6(11)8(4-10)14-7/h3,5,9H,4H2,1-2H3
InChIKeyVZPNEPNOHSOGSQ-UHFFFAOYSA-N
MW296.62 g/mol
LogP4.76
Rot. Bonds4

About 2-(bromomethyl)-3-chloro-5-(2-methyl-1-nitrosopropyl)thiophene

2-(bromomethyl)-3-chloro-5-(2-methyl-1-nitrosopropyl)thiophene (PubChem CID 57224673) has the molecular formula C9H11BrClNOS and a molecular weight of 296.62 g/mol. Its IUPAC name is 2-(bromomethyl)-3-chloro-5-(2-methyl-1-nitrosopropyl)thiophene.

Molecular Properties

Compound Name2-(bromomethyl)-3-chloro-5-(2-methyl-1-nitrosopropyl)thiophene
PubChem CID57224673
Molecular FormulaC9H11BrClNOS
Molecular Weight296.62 g/mol
Exact Mass294.94
IUPAC Name2-(bromomethyl)-3-chloro-5-(2-methyl-1-nitrosopropyl)thiophene
SMILESCC(C)C(N=O)c1cc(Cl)c(CBr)s1
InChIInChI=1S/C9H11BrClNOS/c1-5(2)9(12-13)7-3-6(11)8(4-10)14-7/h3,5,9H,4H2,1-2H3
InChIKeyVZPNEPNOHSOGSQ-UHFFFAOYSA-N
XLogP4.76
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.62
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[5-(bromomethyl)-4-chlorothiophen-2-yl]ethanone
CID 165141299
5-(bromomethyl)-4-chlorothiophene-2-carbonitrile
CID 142647058
1-(5-bromo-4-chlorothiophen-2-yl)-3,4,4-trimethylpentan-1-ol
CID 80532259
1-(5-bromo-4-chlorothiophen-2-yl)-4-methylpentan-1-ol
CID 80532143
1-(5-bromo-4-chlorothiophen-2-yl)-3-methylpentan-1-ol
CID 114875966
2-bromo-3-chloro-5-(1-chloropropyl)thiophene
CID 80533388
1-[4-(bromomethyl)-3-chlorophenyl]ethanol
CID 54433741
ethyl 3-chloro-5-(1-hydroxyethyl)thiophene-2-carboxylate;propane
CID 143276149
2-(5-bromo-3-chlorothiophen-2-yl)-N-propan-2-yloxyethanimine
CID 152580867
5-(bromomethyl)-6-chloro-2-ethyl-1-benzothiophene
CID 131014328
1-(5-bromo-4-chlorothiophen-2-yl)pentan-1-amine
CID 80531015
1-(5-bromo-4-chlorothiophen-2-yl)-2-methylbutan-1-amine
CID 80530869

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-3-chloro-5-(2-methyl-1-nitrosopropyl)thiophene?
The IUPAC name of 2-(bromomethyl)-3-chloro-5-(2-methyl-1-nitrosopropyl)thiophene (CID 57224673) is 2-(bromomethyl)-3-chloro-5-(2-methyl-1-nitrosopropyl)thiophene.
What is the SMILES notation for 2-(bromomethyl)-3-chloro-5-(2-methyl-1-nitrosopropyl)thiophene?
The canonical SMILES for 2-(bromomethyl)-3-chloro-5-(2-methyl-1-nitrosopropyl)thiophene is CC(C)C(N=O)c1cc(Cl)c(CBr)s1.
What is the InChIKey of 2-(bromomethyl)-3-chloro-5-(2-methyl-1-nitrosopropyl)thiophene?
The InChIKey is VZPNEPNOHSOGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrClNOS/c1-5(2)9(12-13)7-3-6(11)8(4-10)14-7/h3,5,9H,4H2,1-2H3.
What are the key properties of 2-(bromomethyl)-3-chloro-5-(2-methyl-1-nitrosopropyl)thiophene?
2-(bromomethyl)-3-chloro-5-(2-methyl-1-nitrosopropyl)thiophene has a molecular weight of 296.62 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-3-chloro-5-(2-methyl-1-nitrosopropyl)thiophene is sourced from PubChem (CID 57224673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).