1-amino-3-(2-methylprop-2-enyl)thiourea

C5H11N3S — CID 2385953

IUPAC1-amino-3-(2-methylprop-2-enyl)thiourea
SMILESC=C(C)CNC(=S)NN
InChIInChI=1S/C5H11N3S/c1-4(2)3-7-5(9)8-6/h1,3,6H2,2H3,(H2,7,8,9)
InChIKeyBGRDCVGTRATYHQ-UHFFFAOYSA-N
MW145.23 g/mol
LogP-0.10
Rot. Bonds2

About 1-amino-3-(2-methylprop-2-enyl)thiourea

1-amino-3-(2-methylprop-2-enyl)thiourea (PubChem CID 2385953) has the molecular formula C5H11N3S and a molecular weight of 145.23 g/mol. Its IUPAC name is 1-amino-3-(2-methylprop-2-enyl)thiourea.

Molecular Properties

Compound Name1-amino-3-(2-methylprop-2-enyl)thiourea
PubChem CID2385953
Molecular FormulaC5H11N3S
Molecular Weight145.23 g/mol
Exact Mass145.07
IUPAC Name1-amino-3-(2-methylprop-2-enyl)thiourea
SMILESC=C(C)CNC(=S)NN
InChIInChI=1S/C5H11N3S/c1-4(2)3-7-5(9)8-6/h1,3,6H2,2H3,(H2,7,8,9)
InChIKeyBGRDCVGTRATYHQ-UHFFFAOYSA-N
XLogP-0.10
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.23
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2-methylprop-2-enyl)thiourea?
The IUPAC name of 1-amino-3-(2-methylprop-2-enyl)thiourea (CID 2385953) is 1-amino-3-(2-methylprop-2-enyl)thiourea.
What is the SMILES notation for 1-amino-3-(2-methylprop-2-enyl)thiourea?
The canonical SMILES for 1-amino-3-(2-methylprop-2-enyl)thiourea is C=C(C)CNC(=S)NN.
What is the InChIKey of 1-amino-3-(2-methylprop-2-enyl)thiourea?
The InChIKey is BGRDCVGTRATYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3S/c1-4(2)3-7-5(9)8-6/h1,3,6H2,2H3,(H2,7,8,9).
What are the key properties of 1-amino-3-(2-methylprop-2-enyl)thiourea?
1-amino-3-(2-methylprop-2-enyl)thiourea has a molecular weight of 145.23 g/mol, XLogP of -0.10, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2-methylprop-2-enyl)thiourea is sourced from PubChem (CID 2385953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).