1,3-dihydroimidazole-2-thione;hydrobromide

C3H5BrN2S — CID 87554396

IUPAC1,3-dihydroimidazole-2-thione;hydrobromide
SMILESBr.S=c1[nH]cc[nH]1
InChIInChI=1S/C3H4N2S.BrH/c6-3-4-1-2-5-3;/h1-2H,(H2,4,5,6);1H
InChIKeyFTUWJOCAYAKOAY-UHFFFAOYSA-N
MW181.06 g/mol
LogP1.65
Rot. Bonds

About 1,3-dihydroimidazole-2-thione;hydrobromide

1,3-dihydroimidazole-2-thione;hydrobromide (PubChem CID 87554396) has the molecular formula C3H5BrN2S and a molecular weight of 181.06 g/mol. Its IUPAC name is 1,3-dihydroimidazole-2-thione;hydrobromide.

Molecular Properties

Compound Name1,3-dihydroimidazole-2-thione;hydrobromide
PubChem CID87554396
Molecular FormulaC3H5BrN2S
Molecular Weight181.06 g/mol
Exact Mass179.94
IUPAC Name1,3-dihydroimidazole-2-thione;hydrobromide
SMILESBr.S=c1[nH]cc[nH]1
InChIInChI=1S/C3H4N2S.BrH/c6-3-4-1-2-5-3;/h1-2H,(H2,4,5,6);1H
InChIKeyFTUWJOCAYAKOAY-UHFFFAOYSA-N
XLogP1.65
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.06
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Methimazole
CID 1349907
2-Mercaptoimidazole
CID 1201386
3-(trideuteriomethyl)-1H-imidazole-2-thione
CID 42641318
Ethenylthiourea
CID 3036306
4-Sulfanyl-1,3-dihydroimidazole-2-thione
CID 21863958
5-Aminoimidazole-2-thiol
CID 57106218
Mercaptoimidazole hydrate
CID 129791004
1-Vinyl-4-imidazoline-2-thione
CID 135377257
1-(N,N-dimethylaminomethyl)-1,3-dihydro-2himidazole-2-thione
CID 145722108
1-Methyl(3-~2~H)-1,3-dihydro-2H-imidazole-2-thione
CID 138396084
5-amino-1-methyl-2,3-dihydro-1H-imidazole-2-thione
CID 12478732
1,3-Bis(ethenyl)thiourea
CID 14150994

Frequently Asked Questions

What is the IUPAC name of 1,3-dihydroimidazole-2-thione;hydrobromide?
The IUPAC name of 1,3-dihydroimidazole-2-thione;hydrobromide (CID 87554396) is 1,3-dihydroimidazole-2-thione;hydrobromide.
What is the SMILES notation for 1,3-dihydroimidazole-2-thione;hydrobromide?
The canonical SMILES for 1,3-dihydroimidazole-2-thione;hydrobromide is Br.S=c1[nH]cc[nH]1.
What is the InChIKey of 1,3-dihydroimidazole-2-thione;hydrobromide?
The InChIKey is FTUWJOCAYAKOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2S.BrH/c6-3-4-1-2-5-3;/h1-2H,(H2,4,5,6);1H.
What are the key properties of 1,3-dihydroimidazole-2-thione;hydrobromide?
1,3-dihydroimidazole-2-thione;hydrobromide has a molecular weight of 181.06 g/mol, XLogP of 1.65, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydroimidazole-2-thione;hydrobromide is sourced from PubChem (CID 87554396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).