2-methylprop-2-enylthiourea;molecular hydrogen

C5H14N2S — CID 145309836

IUPAC2-methylprop-2-enylthiourea;molecular hydrogen
SMILESC=C(C)CNC(N)=S.[H][H].[H][H]
InChIInChI=1S/C5H10N2S.2H2/c1-4(2)3-7-5(6)8;;/h1,3H2,2H3,(H3,6,7,8);2*1H
InChIKeyJPZUHJVMGWZDAG-UHFFFAOYSA-N
MW134.25 g/mol
LogP0.89
Rot. Bonds2

About 2-methylprop-2-enylthiourea;molecular hydrogen

2-methylprop-2-enylthiourea;molecular hydrogen (PubChem CID 145309836) has the molecular formula C5H14N2S and a molecular weight of 134.25 g/mol. Its IUPAC name is 2-methylprop-2-enylthiourea;molecular hydrogen.

Molecular Properties

Compound Name2-methylprop-2-enylthiourea;molecular hydrogen
PubChem CID145309836
Molecular FormulaC5H14N2S
Molecular Weight134.25 g/mol
Exact Mass134.09
IUPAC Name2-methylprop-2-enylthiourea;molecular hydrogen
SMILESC=C(C)CNC(N)=S.[H][H].[H][H]
InChIInChI=1S/C5H10N2S.2H2/c1-4(2)3-7-5(6)8;;/h1,3H2,2H3,(H3,6,7,8);2*1H
InChIKeyJPZUHJVMGWZDAG-UHFFFAOYSA-N
XLogP0.89
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.25
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Methallyl-3-methyl-2-thiourea
CID 2724026
(2-Methylprop-2-en-1-yl)thiourea
CID 4538125
N-Allyl-N'-propylthiourea
CID 15787912
Methallylisothiourea hydroiodide
CID 129816677
1-Methyl-N-(2-methylprop-2-en-1-yl)hydrazine-1-carbothioamide
CID 14118686
1-(2-Methylprop-2-enyl)-3-propylthiourea
CID 15113017
1-Butyl-3-(2-methylprop-2-enyl)thiourea
CID 15113018
1-Ethyl-1,3-bis(2-methylprop-2-enyl)thiourea
CID 15113024
Thiourea, (3-methyl-2-butenyl)-
CID 11018998
1,1-Dimethyl-3-(2-methylprop-2-enyl)thiourea
CID 43384744
N-(2-methylprop-2-enyl)methanethioamide
CID 55287204
5-Methyl-3-sulfanyl-1,4-dihydropyrimidine-2-thione
CID 88709869

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enylthiourea;molecular hydrogen?
The IUPAC name of 2-methylprop-2-enylthiourea;molecular hydrogen (CID 145309836) is 2-methylprop-2-enylthiourea;molecular hydrogen.
What is the SMILES notation for 2-methylprop-2-enylthiourea;molecular hydrogen?
The canonical SMILES for 2-methylprop-2-enylthiourea;molecular hydrogen is C=C(C)CNC(N)=S.[H][H].[H][H].
What is the InChIKey of 2-methylprop-2-enylthiourea;molecular hydrogen?
The InChIKey is JPZUHJVMGWZDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2S.2H2/c1-4(2)3-7-5(6)8;;/h1,3H2,2H3,(H3,6,7,8);2*1H.
What are the key properties of 2-methylprop-2-enylthiourea;molecular hydrogen?
2-methylprop-2-enylthiourea;molecular hydrogen has a molecular weight of 134.25 g/mol, XLogP of 0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enylthiourea;molecular hydrogen is sourced from PubChem (CID 145309836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).