[(5-bromothiophen-2-yl)sulfonylamino]thiourea

C5H6BrN3O2S3 — CID 65214417

IUPAC[(5-bromothiophen-2-yl)sulfonylamino]thiourea
SMILESNC(=S)NNS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C5H6BrN3O2S3/c6-3-1-2-4(13-3)14(10,11)9-8-5(7)12/h1-2,9H,(H3,7,8,12)
InChIKeyZNYTWJXOLPDAPT-UHFFFAOYSA-N
MW316.23 g/mol
LogP0.54
Rot. Bonds3

About [(5-bromothiophen-2-yl)sulfonylamino]thiourea

[(5-bromothiophen-2-yl)sulfonylamino]thiourea (PubChem CID 65214417) has the molecular formula C5H6BrN3O2S3 and a molecular weight of 316.23 g/mol. Its IUPAC name is [(5-bromothiophen-2-yl)sulfonylamino]thiourea.

Molecular Properties

Compound Name[(5-bromothiophen-2-yl)sulfonylamino]thiourea
PubChem CID65214417
Molecular FormulaC5H6BrN3O2S3
Molecular Weight316.23 g/mol
Exact Mass314.88
IUPAC Name[(5-bromothiophen-2-yl)sulfonylamino]thiourea
SMILESNC(=S)NNS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C5H6BrN3O2S3/c6-3-1-2-4(13-3)14(10,11)9-8-5(7)12/h1-2,9H,(H3,7,8,12)
InChIKeyZNYTWJXOLPDAPT-UHFFFAOYSA-N
XLogP0.54
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.23
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze [(5-bromothiophen-2-yl)sulfonylamino]thiourea 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

5-bromothiophene-2-sulfonohydrazide
CID 23464136
N'-(5-bromothiophen-2-yl)sulfonyl-4-methylbenzohydrazide
CID 8616801
3-[(5-bromothiophen-2-yl)sulfonylamino]benzenecarbothioamide
CID 43343845
2-[(5-bromothiophen-2-yl)sulfonylamino]-2-methylpropanamide
CID 61392292
2-[(5-bromothiophen-2-yl)sulfonylamino]-4-chlorobenzenecarbothioamide
CID 64918102
2-[2-[(5-bromothiophen-2-yl)sulfonylamino]phenoxy]ethanethioamide
CID 43369773
N'-(5-bromothiophen-2-yl)sulfonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbohydrazide
CID 26968592
5-bromo-N-(1,3-dihydroxypropan-2-yl)thiophene-2-sulfonamide
CID 65314645
N-(4-aminophenyl)-5-bromothiophene-2-sulfonamide
CID 43166676
3-[(5-bromothiophen-2-yl)sulfonylamino]benzamide
CID 18084682
N'-(5-bromothiophen-2-yl)sulfonyl-2-(3-methylphenoxy)acetohydrazide
CID 8505825
5-bromo-N-(4-tert-butylphenyl)thiophene-2-sulfonamide
CID 3559353

Frequently Asked Questions

What is the IUPAC name of [(5-bromothiophen-2-yl)sulfonylamino]thiourea?
The IUPAC name of [(5-bromothiophen-2-yl)sulfonylamino]thiourea (CID 65214417) is [(5-bromothiophen-2-yl)sulfonylamino]thiourea.
What is the SMILES notation for [(5-bromothiophen-2-yl)sulfonylamino]thiourea?
The canonical SMILES for [(5-bromothiophen-2-yl)sulfonylamino]thiourea is NC(=S)NNS(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of [(5-bromothiophen-2-yl)sulfonylamino]thiourea?
The InChIKey is ZNYTWJXOLPDAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BrN3O2S3/c6-3-1-2-4(13-3)14(10,11)9-8-5(7)12/h1-2,9H,(H3,7,8,12).
What are the key properties of [(5-bromothiophen-2-yl)sulfonylamino]thiourea?
[(5-bromothiophen-2-yl)sulfonylamino]thiourea has a molecular weight of 316.23 g/mol, XLogP of 0.54, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(5-bromothiophen-2-yl)sulfonylamino]thiourea is sourced from PubChem (CID 65214417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).