1,3-bis(ethenyl)thiourea

C5H8N2S — CID 14150994

IUPAC1,3-bis(ethenyl)thiourea
SMILESC=CNC(=S)NC=C
InChIInChI=1S/C5H8N2S/c1-3-6-5(8)7-4-2/h3-4H,1-2H2,(H2,6,7,8)
InChIKeyDNNXAUGMZQMSEI-UHFFFAOYSA-N
MW128.20 g/mol
LogP0.74
Rot. Bonds2

About 1,3-bis(ethenyl)thiourea

1,3-bis(ethenyl)thiourea (PubChem CID 14150994) has the molecular formula C5H8N2S and a molecular weight of 128.20 g/mol. Its IUPAC name is 1,3-bis(ethenyl)thiourea.

Molecular Properties

Compound Name1,3-bis(ethenyl)thiourea
PubChem CID14150994
Molecular FormulaC5H8N2S
Molecular Weight128.20 g/mol
Exact Mass128.04
IUPAC Name1,3-bis(ethenyl)thiourea
SMILESC=CNC(=S)NC=C
InChIInChI=1S/C5H8N2S/c1-3-6-5(8)7-4-2/h3-4H,1-2H2,(H2,6,7,8)
InChIKeyDNNXAUGMZQMSEI-UHFFFAOYSA-N
XLogP0.74
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.20
LogP ≤ 50.74
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
1-ethyl-1H-imidazole-2-thiol
CID 12503264
3-(trideuteriomethyl)-1H-imidazole-2-thione
CID 42641318
Ethenylthiourea
CID 3036306
1-(Dimethylamino)imidazole-2-thiol
CID 19434517
5-Aminoimidazole-2-thiol
CID 57106218
(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

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(ethenyl)thiourea?
The IUPAC name of 1,3-bis(ethenyl)thiourea (CID 14150994) is 1,3-bis(ethenyl)thiourea.
What is the SMILES notation for 1,3-bis(ethenyl)thiourea?
The canonical SMILES for 1,3-bis(ethenyl)thiourea is C=CNC(=S)NC=C.
What is the InChIKey of 1,3-bis(ethenyl)thiourea?
The InChIKey is DNNXAUGMZQMSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2S/c1-3-6-5(8)7-4-2/h3-4H,1-2H2,(H2,6,7,8).
What are the key properties of 1,3-bis(ethenyl)thiourea?
1,3-bis(ethenyl)thiourea has a molecular weight of 128.20 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(ethenyl)thiourea is sourced from PubChem (CID 14150994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).