1,3-dimethyl-1,3-bis(2-methylprop-2-enyl)thiourea

C11H20N2S — CID 18716768

IUPAC1,3-dimethyl-1,3-bis(2-methylprop-2-enyl)thiourea
SMILESC=C(C)CN(C)C(=S)N(C)CC(=C)C
InChIInChI=1S/C11H20N2S/c1-9(2)7-12(5)11(14)13(6)8-10(3)4/h1,3,7-8H2,2,4-6H3
InChIKeyKJJDODNNOCZXBJ-UHFFFAOYSA-N
MW212.36 g/mol
LogP2.29
Rot. Bonds4

About 1,3-dimethyl-1,3-bis(2-methylprop-2-enyl)thiourea

1,3-dimethyl-1,3-bis(2-methylprop-2-enyl)thiourea (PubChem CID 18716768) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is 1,3-dimethyl-1,3-bis(2-methylprop-2-enyl)thiourea.

Molecular Properties

Compound Name1,3-dimethyl-1,3-bis(2-methylprop-2-enyl)thiourea
PubChem CID18716768
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC Name1,3-dimethyl-1,3-bis(2-methylprop-2-enyl)thiourea
SMILESC=C(C)CN(C)C(=S)N(C)CC(=C)C
InChIInChI=1S/C11H20N2S/c1-9(2)7-12(5)11(14)13(6)8-10(3)4/h1,3,7-8H2,2,4-6H3
InChIKeyKJJDODNNOCZXBJ-UHFFFAOYSA-N
XLogP2.29
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.29
H-Bond Donors ≤ 50
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-Methyl-3-(2-methylprop-2-enyl)imidazole-2-thione
CID 332516
1-Ethyl-1,3-bis(2-methylprop-2-enyl)thiourea
CID 15113024
N,N,N'-trimethyl-N'-(2-methylprop-2-enyl)methanediamine
CID 59951303
N,N'-dimethyl-N,N'-bis(2-methylprop-2-enyl)methanediamine
CID 59951318
1,3-Dimethyl-1,3-bis(prop-2-enyl)thiourea
CID 88745121
1,3-Bis(2-methylprop-2-enyl)thiourea
CID 139999938
methane;N,N,N'-trimethyl-N'-(2-methylprop-2-enyl)methanediamine
CID 159899585
3-(2-Methylprop-2-enyl)-1,1-dipropylthiourea
CID 15113020
1,1-Diethyl-3-(2-methylprop-2-enyl)thiourea
CID 43384710
1-Ethyl-1-methyl-3-(2-methylprop-2-enyl)thiourea;hydrochloride
CID 131222725
1-Ethyl-1-methyl-3-(2-methylprop-2-enyl)thiourea
CID 131222726

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-1,3-bis(2-methylprop-2-enyl)thiourea?
The IUPAC name of 1,3-dimethyl-1,3-bis(2-methylprop-2-enyl)thiourea (CID 18716768) is 1,3-dimethyl-1,3-bis(2-methylprop-2-enyl)thiourea.
What is the SMILES notation for 1,3-dimethyl-1,3-bis(2-methylprop-2-enyl)thiourea?
The canonical SMILES for 1,3-dimethyl-1,3-bis(2-methylprop-2-enyl)thiourea is C=C(C)CN(C)C(=S)N(C)CC(=C)C.
What is the InChIKey of 1,3-dimethyl-1,3-bis(2-methylprop-2-enyl)thiourea?
The InChIKey is KJJDODNNOCZXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-9(2)7-12(5)11(14)13(6)8-10(3)4/h1,3,7-8H2,2,4-6H3.
What are the key properties of 1,3-dimethyl-1,3-bis(2-methylprop-2-enyl)thiourea?
1,3-dimethyl-1,3-bis(2-methylprop-2-enyl)thiourea has a molecular weight of 212.36 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-1,3-bis(2-methylprop-2-enyl)thiourea is sourced from PubChem (CID 18716768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).