3-amino-1-[2-(dimethylamino)ethyl]-1-methylthiourea;ethane

C8H22N4S — CID 144731060

IUPAC3-amino-1-[2-(dimethylamino)ethyl]-1-methylthiourea;ethane
SMILESCC.CN(C)CCN(C)C(=S)NN
InChIInChI=1S/C6H16N4S.C2H6/c1-9(2)4-5-10(3)6(11)8-7;1-2/h4-5,7H2,1-3H3,(H,8,11);1-2H3
InChIKeyOTCWVAHBBLSZKU-UHFFFAOYSA-N
MW206.36 g/mol
LogP0.25
Rot. Bonds3

About 3-amino-1-[2-(dimethylamino)ethyl]-1-methylthiourea;ethane

3-amino-1-[2-(dimethylamino)ethyl]-1-methylthiourea;ethane (PubChem CID 144731060) has the molecular formula C8H22N4S and a molecular weight of 206.36 g/mol. Its IUPAC name is 3-amino-1-[2-(dimethylamino)ethyl]-1-methylthiourea;ethane.

Molecular Properties

Compound Name3-amino-1-[2-(dimethylamino)ethyl]-1-methylthiourea;ethane
PubChem CID144731060
Molecular FormulaC8H22N4S
Molecular Weight206.36 g/mol
Exact Mass206.16
IUPAC Name3-amino-1-[2-(dimethylamino)ethyl]-1-methylthiourea;ethane
SMILESCC.CN(C)CCN(C)C(=S)NN
InChIInChI=1S/C6H16N4S.C2H6/c1-9(2)4-5-10(3)6(11)8-7;1-2/h4-5,7H2,1-3H3,(H,8,11);1-2H3
InChIKeyOTCWVAHBBLSZKU-UHFFFAOYSA-N
XLogP0.25
TPSA44.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.36
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

4-Methylpiperazine-1-carbothiohydrazide
CID 15291742
4-Ethylpiperazine-1-carbothiohydrazide
CID 82281176
N-(2-((Hydrazinocarbothioyl)(methyl)amino)ethyl)-N-methylhydrazinecarbothioamide
CID 3005302
4-[2-Diethylaminoethyl]thiosemicarbazide
CID 5368036
Hydrazinecarbothioamide, N-[2-(dimethylamino)ethyl]-
CID 10352005
3-Amino-1-ethyl-1-methylthiourea
CID 15182084
2-(Aminocarbamothioylamino)ethyl-trimethylazanium
CID 88364651
1,3-Diamino-1-[2-(diethylamino)ethyl]thiourea
CID 89325213
1,3-Diamino-1-[2-(dimethylamino)ethyl]thiourea
CID 155112625
N',N',4-trimethylpiperazine-1-carbothiohydrazide
CID 5382002
Amino-[2-[aminocarbamothioyl(methyl)amino]ethyl]-carbamothioyl-methylazanium
CID 21148822
1-Amino-1-[2-(diethylamino)ethyl]thiourea
CID 21160214

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[2-(dimethylamino)ethyl]-1-methylthiourea;ethane?
The IUPAC name of 3-amino-1-[2-(dimethylamino)ethyl]-1-methylthiourea;ethane (CID 144731060) is 3-amino-1-[2-(dimethylamino)ethyl]-1-methylthiourea;ethane.
What is the SMILES notation for 3-amino-1-[2-(dimethylamino)ethyl]-1-methylthiourea;ethane?
The canonical SMILES for 3-amino-1-[2-(dimethylamino)ethyl]-1-methylthiourea;ethane is CC.CN(C)CCN(C)C(=S)NN.
What is the InChIKey of 3-amino-1-[2-(dimethylamino)ethyl]-1-methylthiourea;ethane?
The InChIKey is OTCWVAHBBLSZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N4S.C2H6/c1-9(2)4-5-10(3)6(11)8-7;1-2/h4-5,7H2,1-3H3,(H,8,11);1-2H3.
What are the key properties of 3-amino-1-[2-(dimethylamino)ethyl]-1-methylthiourea;ethane?
3-amino-1-[2-(dimethylamino)ethyl]-1-methylthiourea;ethane has a molecular weight of 206.36 g/mol, XLogP of 0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[2-(dimethylamino)ethyl]-1-methylthiourea;ethane is sourced from PubChem (CID 144731060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).