[(2,5-dichlorothiophene-3-carbonyl)amino]thiourea

C6H5Cl2N3OS2 — CID 107966869

IUPAC[(2,5-dichlorothiophene-3-carbonyl)amino]thiourea
SMILESNC(=S)NNC(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C6H5Cl2N3OS2/c7-3-1-2(4(8)14-3)5(12)10-11-6(9)13/h1H,(H,10,12)(H3,9,11,13)
InChIKeyVUIKHKKGGHCHIX-UHFFFAOYSA-N
MW270.17 g/mol
LogP1.53
Rot. Bonds1

About [(2,5-dichlorothiophene-3-carbonyl)amino]thiourea

[(2,5-dichlorothiophene-3-carbonyl)amino]thiourea (PubChem CID 107966869) has the molecular formula C6H5Cl2N3OS2 and a molecular weight of 270.17 g/mol. Its IUPAC name is [(2,5-dichlorothiophene-3-carbonyl)amino]thiourea.

Molecular Properties

Compound Name[(2,5-dichlorothiophene-3-carbonyl)amino]thiourea
PubChem CID107966869
Molecular FormulaC6H5Cl2N3OS2
Molecular Weight270.17 g/mol
Exact Mass268.93
IUPAC Name[(2,5-dichlorothiophene-3-carbonyl)amino]thiourea
SMILESNC(=S)NNC(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C6H5Cl2N3OS2/c7-3-1-2(4(8)14-3)5(12)10-11-6(9)13/h1H,(H,10,12)(H3,9,11,13)
InChIKeyVUIKHKKGGHCHIX-UHFFFAOYSA-N
XLogP1.53
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-Chloro-2-sulfamoylthiophene-3-carbohydrazide
CID 11807266
2,5-Dichlorothiophene-3-carboxamide
CID 17804711
5-Chlorothiophene-3-carbohydrazide
CID 131067754
2,5-Dichlorothiophene-3-carbohydrazide;hydrochloride
CID 142496820
2,5-dichloro-N'-(cyclopropanecarbonyl)thiophene-3-carbohydrazide
CID 26738757
2,5-Dichlorothiophene-3-carbohydrazide
CID 71670587
[(2,5-Dichlorothiophene-3-carbonyl)amino]urea
CID 107966506
[(5-Chlorothiophene-3-carbonyl)amino]urea
CID 130639850
N'-acetyl-5-chlorothiophene-3-carbohydrazide
CID 130992096

Frequently Asked Questions

What is the IUPAC name of [(2,5-dichlorothiophene-3-carbonyl)amino]thiourea?
The IUPAC name of [(2,5-dichlorothiophene-3-carbonyl)amino]thiourea (CID 107966869) is [(2,5-dichlorothiophene-3-carbonyl)amino]thiourea.
What is the SMILES notation for [(2,5-dichlorothiophene-3-carbonyl)amino]thiourea?
The canonical SMILES for [(2,5-dichlorothiophene-3-carbonyl)amino]thiourea is NC(=S)NNC(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of [(2,5-dichlorothiophene-3-carbonyl)amino]thiourea?
The InChIKey is VUIKHKKGGHCHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl2N3OS2/c7-3-1-2(4(8)14-3)5(12)10-11-6(9)13/h1H,(H,10,12)(H3,9,11,13).
What are the key properties of [(2,5-dichlorothiophene-3-carbonyl)amino]thiourea?
[(2,5-dichlorothiophene-3-carbonyl)amino]thiourea has a molecular weight of 270.17 g/mol, XLogP of 1.53, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2,5-dichlorothiophene-3-carbonyl)amino]thiourea is sourced from PubChem (CID 107966869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).