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

C6H13N3S — CID 14118686

IUPAC1-amino-1-methyl-3-(2-methylprop-2-enyl)thiourea
SMILESC=C(C)CNC(=S)N(C)N
InChIInChI=1S/C6H13N3S/c1-5(2)4-8-6(10)9(3)7/h1,4,7H2,2-3H3,(H,8,10)
InChIKeyFAHRXLRUIQQBRQ-UHFFFAOYSA-N
MW159.26 g/mol
LogP0.24
Rot. Bonds2

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

1-amino-1-methyl-3-(2-methylprop-2-enyl)thiourea (PubChem CID 14118686) has the molecular formula C6H13N3S and a molecular weight of 159.26 g/mol. Its IUPAC name is 1-amino-1-methyl-3-(2-methylprop-2-enyl)thiourea.

Molecular Properties

Compound Name1-amino-1-methyl-3-(2-methylprop-2-enyl)thiourea
PubChem CID14118686
Molecular FormulaC6H13N3S
Molecular Weight159.26 g/mol
Exact Mass159.08
IUPAC Name1-amino-1-methyl-3-(2-methylprop-2-enyl)thiourea
SMILESC=C(C)CNC(=S)N(C)N
InChIInChI=1S/C6H13N3S/c1-5(2)4-8-6(10)9(3)7/h1,4,7H2,2-3H3,(H,8,10)
InChIKeyFAHRXLRUIQQBRQ-UHFFFAOYSA-N
XLogP0.24
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.26
LogP ≤ 50.24
H-Bond Donors ≤ 52
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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Related Compounds

1-Methallyl-3-methyl-2-thiourea
CID 2724026
N-(2-methylprop-2-enyl)hydrazinecarbothioamide
CID 2385953
(2-Methylprop-2-en-1-yl)thiourea
CID 4538125
N,N'-bis(2-methylallyl)hydrazine-1,2-dicarbothioamide
CID 20184854
1-(2-Methylprop-2-EN-1-YL)-3-[(2-methylprop-2-EN-1-YL)amino]thiourea
CID 3897598
1-Methyl-3-(2-methylprop-2-enylcarbamothioylamino)thiourea
CID 20184855
1,1-Dimethyl-3-(2-methylprop-2-enyl)thiourea
CID 43384744
2-Methylprop-2-enylthiourea;molecular hydrogen
CID 145309836
Amino(2-{[(2-methylprop-2-enyl)amino]thioxomethyl}hydrazino)methane-1-thione
CID 4053602
1-Amino-1-(2-methylprop-2-enyl)thiourea
CID 20847986
1-Ethyl-3-(2-methylprop-2-enyl)thiourea
CID 43384762
1-Amino-3-methyl-1-prop-2-enylthiourea
CID 55286050

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-methyl-3-(2-methylprop-2-enyl)thiourea?
The IUPAC name of 1-amino-1-methyl-3-(2-methylprop-2-enyl)thiourea (CID 14118686) is 1-amino-1-methyl-3-(2-methylprop-2-enyl)thiourea.
What is the SMILES notation for 1-amino-1-methyl-3-(2-methylprop-2-enyl)thiourea?
The canonical SMILES for 1-amino-1-methyl-3-(2-methylprop-2-enyl)thiourea is C=C(C)CNC(=S)N(C)N.
What is the InChIKey of 1-amino-1-methyl-3-(2-methylprop-2-enyl)thiourea?
The InChIKey is FAHRXLRUIQQBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3S/c1-5(2)4-8-6(10)9(3)7/h1,4,7H2,2-3H3,(H,8,10).
What are the key properties of 1-amino-1-methyl-3-(2-methylprop-2-enyl)thiourea?
1-amino-1-methyl-3-(2-methylprop-2-enyl)thiourea has a molecular weight of 159.26 g/mol, XLogP of 0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-methyl-3-(2-methylprop-2-enyl)thiourea is sourced from PubChem (CID 14118686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).