2-bromothiophene;sulfuryl diazide

C4H3BrN6O2S2 — CID 158472383

IUPAC2-bromothiophene;sulfuryl diazide
SMILESBrc1cccs1.[N-]=[N+]=NS(=O)(=O)N=[N+]=[N-]
InChIInChI=1S/C4H3BrS.N6O2S/c5-4-2-1-3-6-4;1-3-5-9(7,8)6-4-2/h1-3H;
InChIKeyHGMWVEPFKXPXHR-UHFFFAOYSA-N
MW311.15 g/mol
LogP3.36
Rot. Bonds2

About 2-bromothiophene;sulfuryl diazide

2-bromothiophene;sulfuryl diazide (PubChem CID 158472383) has the molecular formula C4H3BrN6O2S2 and a molecular weight of 311.15 g/mol. Its IUPAC name is 2-bromothiophene;sulfuryl diazide.

Molecular Properties

Compound Name2-bromothiophene;sulfuryl diazide
PubChem CID158472383
Molecular FormulaC4H3BrN6O2S2
Molecular Weight311.15 g/mol
Exact Mass309.89
IUPAC Name2-bromothiophene;sulfuryl diazide
SMILESBrc1cccs1.[N-]=[N+]=NS(=O)(=O)N=[N+]=[N-]
InChIInChI=1S/C4H3BrS.N6O2S/c5-4-2-1-3-6-4;1-3-5-9(7,8)6-4-2/h1-3H;
InChIKeyHGMWVEPFKXPXHR-UHFFFAOYSA-N
XLogP3.36
TPSA131.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.15
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromothiophene;sulfuryl diazide?
The IUPAC name of 2-bromothiophene;sulfuryl diazide (CID 158472383) is 2-bromothiophene;sulfuryl diazide.
What is the SMILES notation for 2-bromothiophene;sulfuryl diazide?
The canonical SMILES for 2-bromothiophene;sulfuryl diazide is Brc1cccs1.[N-]=[N+]=NS(=O)(=O)N=[N+]=[N-].
What is the InChIKey of 2-bromothiophene;sulfuryl diazide?
The InChIKey is HGMWVEPFKXPXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3BrS.N6O2S/c5-4-2-1-3-6-4;1-3-5-9(7,8)6-4-2/h1-3H;.
What are the key properties of 2-bromothiophene;sulfuryl diazide?
2-bromothiophene;sulfuryl diazide has a molecular weight of 311.15 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromothiophene;sulfuryl diazide is sourced from PubChem (CID 158472383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).