[(E)-2-(dimethylamino)ethenyl]thiourea

C5H11N3S — CID 156593609

IUPAC[(E)-2-(dimethylamino)ethenyl]thiourea
SMILESCN(C)/C=C/NC(N)=S
InChIInChI=1S/C5H11N3S/c1-8(2)4-3-7-5(6)9/h3-4H,1-2H3,(H3,6,7,9)/b4-3+
InChIKeyFIUPFNSRKVYCJH-ONEGZZNKSA-N
MW145.23 g/mol
LogP-0.15
Rot. Bonds2

About [(E)-2-(dimethylamino)ethenyl]thiourea

[(E)-2-(dimethylamino)ethenyl]thiourea (PubChem CID 156593609) has the molecular formula C5H11N3S and a molecular weight of 145.23 g/mol. Its IUPAC name is [(E)-2-(dimethylamino)ethenyl]thiourea.

Molecular Properties

Compound Name[(E)-2-(dimethylamino)ethenyl]thiourea
PubChem CID156593609
Molecular FormulaC5H11N3S
Molecular Weight145.23 g/mol
Exact Mass145.07
IUPAC Name[(E)-2-(dimethylamino)ethenyl]thiourea
SMILESCN(C)/C=C/NC(N)=S
InChIInChI=1S/C5H11N3S/c1-8(2)4-3-7-5(6)9/h3-4H,1-2H3,(H3,6,7,9)/b4-3+
InChIKeyFIUPFNSRKVYCJH-ONEGZZNKSA-N
XLogP-0.15
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.23
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(E)-prop-1-enyl]thiourea
CID 71777626
(Z)-N-buta-1,3-dien-2-yl-N',N'-dimethylethene-1,2-diamine
CID 126614791
1-(carbamothioylamino)-1-methylurea
CID 20832097
(Z)-N-[(3Z)-4-iodobuta-1,3-dien-2-yl]-N',N'-dimethylethene-1,2-diamine
CID 134482442
(E)-2-[amino(methyl)amino]-1-N'-methylethene-1,1-diamine
CID 155247228
1-(carbamothioylamino)-3-prop-1-enylthiourea
CID 87967428
(Z)-N,N-dimethyl-2-(2-methylhydrazinyl)ethenamine
CID 129262327
(Z)-N-ethenyl-N',N'-dimethylethene-1,2-diamine
CID 139522049
2-(dimethylamino)ethenol
CID 76835674
azane;O-methyl carbamothioate
CID 162314519
(Z)-3-[amino(methyl)amino]-1-N,1-N-dimethylprop-2-ene-1,2-diamine
CID 131994289
1-amino-1-(methylamino)thiourea
CID 175401344

Frequently Asked Questions

What is the IUPAC name of [(E)-2-(dimethylamino)ethenyl]thiourea?
The IUPAC name of [(E)-2-(dimethylamino)ethenyl]thiourea (CID 156593609) is [(E)-2-(dimethylamino)ethenyl]thiourea.
What is the SMILES notation for [(E)-2-(dimethylamino)ethenyl]thiourea?
The canonical SMILES for [(E)-2-(dimethylamino)ethenyl]thiourea is CN(C)/C=C/NC(N)=S.
What is the InChIKey of [(E)-2-(dimethylamino)ethenyl]thiourea?
The InChIKey is FIUPFNSRKVYCJH-ONEGZZNKSA-N. The full InChI is InChI=1S/C5H11N3S/c1-8(2)4-3-7-5(6)9/h3-4H,1-2H3,(H3,6,7,9)/b4-3+.
What are the key properties of [(E)-2-(dimethylamino)ethenyl]thiourea?
[(E)-2-(dimethylamino)ethenyl]thiourea has a molecular weight of 145.23 g/mol, XLogP of -0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-(dimethylamino)ethenyl]thiourea is sourced from PubChem (CID 156593609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).