1-amino-1,3,3-trimethylthiourea

C4H11N3S — CID 13157232

IUPAC1-amino-1,3,3-trimethylthiourea
SMILESCN(C)C(=S)N(C)N
InChIInChI=1S/C4H11N3S/c1-6(2)4(8)7(3)5/h5H2,1-3H3
InChIKeyKNCAVFLXUQLOBR-UHFFFAOYSA-N
MW133.22 g/mol
LogP-0.36
Rot. Bonds

About 1-amino-1,3,3-trimethylthiourea

1-amino-1,3,3-trimethylthiourea (PubChem CID 13157232) has the molecular formula C4H11N3S and a molecular weight of 133.22 g/mol. Its IUPAC name is 1-amino-1,3,3-trimethylthiourea.

Molecular Properties

Compound Name1-amino-1,3,3-trimethylthiourea
PubChem CID13157232
Molecular FormulaC4H11N3S
Molecular Weight133.22 g/mol
Exact Mass133.07
IUPAC Name1-amino-1,3,3-trimethylthiourea
SMILESCN(C)C(=S)N(C)N
InChIInChI=1S/C4H11N3S/c1-6(2)4(8)7(3)5/h5H2,1-3H3
InChIKeyKNCAVFLXUQLOBR-UHFFFAOYSA-N
XLogP-0.36
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.22
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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

N,N-dimethylethanethioamide;hydrazine
CID 159847458
1,1-diamino-3,3-dimethylurea
CID 154021119
N-amino-N-methylhydroxylamine
CID 15168490
1,1-dimethyl-3,3-bis(methylsulfonyl)thiourea
CID 101153079
N,N-dimethylcarbamothioyl fluoride
CID 71367406
1,1-dimethylhydrazine
CID 5976
dimethylcarbamodithioic acid;iron(2+)
CID 23619204
disodium bis(N,N-dimethylcarbamodithioate)
CID 160761819
tetrakis(N,N-dimethylcarbamodithioate);zirconium(4+)
CID 174384958
CID 54599967
CID 54599967
cesium dimethylamino(sulfanylidene)methaneselenolate
CID 102272545
potassium N,N-dimethylcarbamodithioate
CID 23662387

Frequently Asked Questions

What is the IUPAC name of 1-amino-1,3,3-trimethylthiourea?
The IUPAC name of 1-amino-1,3,3-trimethylthiourea (CID 13157232) is 1-amino-1,3,3-trimethylthiourea.
What is the SMILES notation for 1-amino-1,3,3-trimethylthiourea?
The canonical SMILES for 1-amino-1,3,3-trimethylthiourea is CN(C)C(=S)N(C)N.
What is the InChIKey of 1-amino-1,3,3-trimethylthiourea?
The InChIKey is KNCAVFLXUQLOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N3S/c1-6(2)4(8)7(3)5/h5H2,1-3H3.
What are the key properties of 1-amino-1,3,3-trimethylthiourea?
1-amino-1,3,3-trimethylthiourea has a molecular weight of 133.22 g/mol, XLogP of -0.36, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1,3,3-trimethylthiourea is sourced from PubChem (CID 13157232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).