[(E)-prop-1-enyl]thiourea

C4H8N2S — CID 71777626

IUPAC[(E)-prop-1-enyl]thiourea
SMILESC/C=C/NC(N)=S
InChIInChI=1S/C4H8N2S/c1-2-3-6-4(5)7/h2-3H,1H3,(H3,5,6,7)/b3-2+
InChIKeyTWHFLJSUZZJTQY-NSCUHMNNSA-N
MW116.19 g/mol
LogP0.35
Rot. Bonds1

About [(E)-prop-1-enyl]thiourea

[(E)-prop-1-enyl]thiourea (PubChem CID 71777626) has the molecular formula C4H8N2S and a molecular weight of 116.19 g/mol. Its IUPAC name is [(E)-prop-1-enyl]thiourea.

Molecular Properties

Compound Name[(E)-prop-1-enyl]thiourea
PubChem CID71777626
Molecular FormulaC4H8N2S
Molecular Weight116.19 g/mol
Exact Mass116.04
IUPAC Name[(E)-prop-1-enyl]thiourea
SMILESC/C=C/NC(N)=S
InChIInChI=1S/C4H8N2S/c1-2-3-6-4(5)7/h2-3H,1H3,(H3,5,6,7)/b3-2+
InChIKeyTWHFLJSUZZJTQY-NSCUHMNNSA-N
XLogP0.35
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.19
LogP ≤ 50.35
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

1-(carbamothioylamino)-3-prop-1-enylthiourea
CID 87967428
[(E)-2-(dimethylamino)ethenyl]thiourea
CID 156593609
2-methyl-N-[(Z)-prop-1-enyl]propanethioamide
CID 130335453
N-[(Z)-prop-1-enyl]acetamide
CID 5325885
[(E)-prop-1-enyl]hydrazine
CID 19898087
N-[(Z)-prop-1-enyl]prop-2-enamide
CID 89246615
N'-[[(Z)-prop-1-enyl]amino]carbamimidoyl chloride
CID 175613156
S-methyl N-[(E)-prop-1-enyl]carbamothioate
CID 142901647
2-methyl-N-prop-1-enylpropanamide
CID 74003978
(E)-2-methyl-N-[(E)-prop-1-enyl]but-2-enamide
CID 141238660
1-methanimidoyl-1,3-bis[(Z)-prop-1-enyl]thiourea
CID 163586216
bis(O-methyl carbamothioate);prop-1-ene
CID 175031330

Frequently Asked Questions

What is the IUPAC name of [(E)-prop-1-enyl]thiourea?
The IUPAC name of [(E)-prop-1-enyl]thiourea (CID 71777626) is [(E)-prop-1-enyl]thiourea.
What is the SMILES notation for [(E)-prop-1-enyl]thiourea?
The canonical SMILES for [(E)-prop-1-enyl]thiourea is C/C=C/NC(N)=S.
What is the InChIKey of [(E)-prop-1-enyl]thiourea?
The InChIKey is TWHFLJSUZZJTQY-NSCUHMNNSA-N. The full InChI is InChI=1S/C4H8N2S/c1-2-3-6-4(5)7/h2-3H,1H3,(H3,5,6,7)/b3-2+.
What are the key properties of [(E)-prop-1-enyl]thiourea?
[(E)-prop-1-enyl]thiourea has a molecular weight of 116.19 g/mol, XLogP of 0.35, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-prop-1-enyl]thiourea is sourced from PubChem (CID 71777626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).