N-sulfanylcarbamoyl bromide

CH2BrNOS — CID 141041734

IUPACN-sulfanylcarbamoyl bromide
SMILESO=C(Br)NS
InChIInChI=1S/CH2BrNOS/c2-1(4)3-5/h5H,(H,3,4)
InChIKeyIINFLBKBCKNRNT-UHFFFAOYSA-N
MW156.00 g/mol
LogP0.94
Rot. Bonds

About N-sulfanylcarbamoyl bromide

N-sulfanylcarbamoyl bromide (PubChem CID 141041734) has the molecular formula CH2BrNOS and a molecular weight of 156.00 g/mol. Its IUPAC name is N-sulfanylcarbamoyl bromide.

Molecular Properties

Compound NameN-sulfanylcarbamoyl bromide
PubChem CID141041734
Molecular FormulaCH2BrNOS
Molecular Weight156.00 g/mol
Exact Mass154.90
IUPAC NameN-sulfanylcarbamoyl bromide
SMILESO=C(Br)NS
InChIInChI=1S/CH2BrNOS/c2-1(4)3-5/h5H,(H,3,4)
InChIKeyIINFLBKBCKNRNT-UHFFFAOYSA-N
XLogP0.94
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.00
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze N-sulfanylcarbamoyl bromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-N-sulfanylacetamide
CID 58969789
2-hydroxy-N-sulfanylacetamide
CID 166739002
(sulfanylamino) hydrogen carbonate
CID 166522443
N,N'-bis(sulfanyl)oxamide;ethanol
CID 175121420
phosphoric acid;sulfanylurea
CID 118224142
S-methyl N-sulfanylcarbamothioate
CID 154257163
N-sulfanylcyclopropanecarboxamide
CID 123413903
1-sulfanyl-3-sulfonylurea
CID 22564727
N-sulfanylbutanamide
CID 18680505
acetylene;carbonobromidic acid
CID 160881436
barium(2+);carbonobromidic acid;hydride
CID 174557761
2-(dimethylamino)-N-sulfanylacetamide
CID 122523044

Frequently Asked Questions

What is the IUPAC name of N-sulfanylcarbamoyl bromide?
The IUPAC name of N-sulfanylcarbamoyl bromide (CID 141041734) is N-sulfanylcarbamoyl bromide.
What is the SMILES notation for N-sulfanylcarbamoyl bromide?
The canonical SMILES for N-sulfanylcarbamoyl bromide is O=C(Br)NS.
What is the InChIKey of N-sulfanylcarbamoyl bromide?
The InChIKey is IINFLBKBCKNRNT-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2BrNOS/c2-1(4)3-5/h5H,(H,3,4).
What are the key properties of N-sulfanylcarbamoyl bromide?
N-sulfanylcarbamoyl bromide has a molecular weight of 156.00 g/mol, XLogP of 0.94, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-sulfanylcarbamoyl bromide is sourced from PubChem (CID 141041734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).