4-amino-1,3-dihydroimidazole-2-thione

C3H5N3S — CID 57106218

IUPAC4-amino-1,3-dihydroimidazole-2-thione
SMILESNc1c[nH]c(=S)[nH]1
InChIInChI=1S/C3H5N3S/c4-2-1-5-3(7)6-2/h1H,4H2,(H2,5,6,7)
InChIKeyFFIXQDCUDZHOSL-UHFFFAOYSA-N
MW115.16 g/mol
LogP0.65
Rot. Bonds

About 4-amino-1,3-dihydroimidazole-2-thione

4-amino-1,3-dihydroimidazole-2-thione (PubChem CID 57106218) has the molecular formula C3H5N3S and a molecular weight of 115.16 g/mol. Its IUPAC name is 4-amino-1,3-dihydroimidazole-2-thione.

Molecular Properties

Compound Name4-amino-1,3-dihydroimidazole-2-thione
PubChem CID57106218
Molecular FormulaC3H5N3S
Molecular Weight115.16 g/mol
Exact Mass115.02
IUPAC Name4-amino-1,3-dihydroimidazole-2-thione
SMILESNc1c[nH]c(=S)[nH]1
InChIInChI=1S/C3H5N3S/c4-2-1-5-3(7)6-2/h1H,4H2,(H2,5,6,7)
InChIKeyFFIXQDCUDZHOSL-UHFFFAOYSA-N
XLogP0.65
TPSA57.60 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.16
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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
(3h)-Imidazolethione hydrogen bromide
CID 87554396
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 4-amino-1,3-dihydroimidazole-2-thione?
The IUPAC name of 4-amino-1,3-dihydroimidazole-2-thione (CID 57106218) is 4-amino-1,3-dihydroimidazole-2-thione.
What is the SMILES notation for 4-amino-1,3-dihydroimidazole-2-thione?
The canonical SMILES for 4-amino-1,3-dihydroimidazole-2-thione is Nc1c[nH]c(=S)[nH]1.
What is the InChIKey of 4-amino-1,3-dihydroimidazole-2-thione?
The InChIKey is FFIXQDCUDZHOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N3S/c4-2-1-5-3(7)6-2/h1H,4H2,(H2,5,6,7).
What are the key properties of 4-amino-1,3-dihydroimidazole-2-thione?
4-amino-1,3-dihydroimidazole-2-thione has a molecular weight of 115.16 g/mol, XLogP of 0.65, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1,3-dihydroimidazole-2-thione is sourced from PubChem (CID 57106218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).