1,1-diethyl-3-(methylamino)thiourea

C6H15N3S — CID 87392801

IUPAC1,1-diethyl-3-(methylamino)thiourea
SMILESCCN(CC)C(=S)NNC
InChIInChI=1S/C6H15N3S/c1-4-9(5-2)6(10)8-7-3/h7H,4-5H2,1-3H3,(H,8,10)
InChIKeyMKOYRCQLHBILTP-UHFFFAOYSA-N
MW161.27 g/mol
LogP0.34
Rot. Bonds3

About 1,1-diethyl-3-(methylamino)thiourea

1,1-diethyl-3-(methylamino)thiourea (PubChem CID 87392801) has the molecular formula C6H15N3S and a molecular weight of 161.27 g/mol. Its IUPAC name is 1,1-diethyl-3-(methylamino)thiourea.

Molecular Properties

Compound Name1,1-diethyl-3-(methylamino)thiourea
PubChem CID87392801
Molecular FormulaC6H15N3S
Molecular Weight161.27 g/mol
Exact Mass161.10
IUPAC Name1,1-diethyl-3-(methylamino)thiourea
SMILESCCN(CC)C(=S)NNC
InChIInChI=1S/C6H15N3S/c1-4-9(5-2)6(10)8-7-3/h7H,4-5H2,1-3H3,(H,8,10)
InChIKeyMKOYRCQLHBILTP-UHFFFAOYSA-N
XLogP0.34
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

4,4-Dibutylthiosemicarbazide
CID 12236601
N,N-Diethylhydrazinecarbothioamide
CID 5372930
3-Amino-1-ethyl-1-methylthiourea
CID 15182084
1-Ethyl-3-(methylamino)thiourea
CID 15685569
1-Amino-3-[1-(dimethylamino)ethyl]thiourea
CID 23471364
3-Amino-1,1-di(propan-2-yl)thiourea
CID 55279270
N-ethyl-N-(hydrazinylmethyl)ethanamine
CID 117574714
3-Amino-1-methyl-1-propan-2-ylthiourea
CID 145284853
3-Amino-1-methyl-1-propylthiourea
CID 156741750
5-Amino-4-ethyl-1,2,4-triazolidine-3-thione
CID 163488006
Amino-carbamothioyl-diethylazanium
CID 21160599
4,5-Dimethyl-1,2,4-triazolidine-3-thione
CID 45087488

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-(methylamino)thiourea?
The IUPAC name of 1,1-diethyl-3-(methylamino)thiourea (CID 87392801) is 1,1-diethyl-3-(methylamino)thiourea.
What is the SMILES notation for 1,1-diethyl-3-(methylamino)thiourea?
The canonical SMILES for 1,1-diethyl-3-(methylamino)thiourea is CCN(CC)C(=S)NNC.
What is the InChIKey of 1,1-diethyl-3-(methylamino)thiourea?
The InChIKey is MKOYRCQLHBILTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3S/c1-4-9(5-2)6(10)8-7-3/h7H,4-5H2,1-3H3,(H,8,10).
What are the key properties of 1,1-diethyl-3-(methylamino)thiourea?
1,1-diethyl-3-(methylamino)thiourea has a molecular weight of 161.27 g/mol, XLogP of 0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-3-(methylamino)thiourea is sourced from PubChem (CID 87392801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).