1-amino-3-(ethylcarbamothioylamino)thiourea

C4H11N5S2 — CID 130721573

IUPAC1-amino-3-(ethylcarbamothioylamino)thiourea
SMILESCCNC(=S)NNC(=S)NN
InChIInChI=1S/C4H11N5S2/c1-2-6-3(10)8-9-4(11)7-5/h2,5H2,1H3,(H2,6,8,10)(H2,7,9,11)
InChIKeyXUHMGAZVMKCNNR-UHFFFAOYSA-N
MW193.30 g/mol
LogP-1.28
Rot. Bonds1

About 1-amino-3-(ethylcarbamothioylamino)thiourea

1-amino-3-(ethylcarbamothioylamino)thiourea (PubChem CID 130721573) has the molecular formula C4H11N5S2 and a molecular weight of 193.30 g/mol. Its IUPAC name is 1-amino-3-(ethylcarbamothioylamino)thiourea.

Molecular Properties

Compound Name1-amino-3-(ethylcarbamothioylamino)thiourea
PubChem CID130721573
Molecular FormulaC4H11N5S2
Molecular Weight193.30 g/mol
Exact Mass193.05
IUPAC Name1-amino-3-(ethylcarbamothioylamino)thiourea
SMILESCCNC(=S)NNC(=S)NN
InChIInChI=1S/C4H11N5S2/c1-2-6-3(10)8-9-4(11)7-5/h2,5H2,1H3,(H2,6,8,10)(H2,7,9,11)
InChIKeyXUHMGAZVMKCNNR-UHFFFAOYSA-N
XLogP-1.28
TPSA74.14 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.30
LogP ≤ 5-1.28
H-Bond Donors ≤ 55
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-Ethyl-3-thiosemicarbazide
CID 1551780
3-Amino-1-butylthiourea
CID 1810303
n-Propylhydrazinecarbothioamide
CID 1810736
4-Isopropyl-3-thiosemicarbazide
CID 1809376
3-Amino-1-[2-(methylsulfanyl)ethyl]thiourea
CID 20526581
1-Amino-3-[2-(aminocarbamothioylamino)ethyl]thiourea
CID 3005301
1-Ethyl-3-(ethylcarbamothioylamino)thiourea
CID 3500055
(Ethylcarbamothioylamino)urea
CID 3981044
N,N'-dibutylhydrazine-1,2-dicarbothioamide
CID 5386096
4-Sec-butyl-thiosemicarbazide
CID 3962768
N-Ethyl-2,2-dimethylhydrazine-1-carbothioamide
CID 4253634
4-[2-Diethylaminoethyl]thiosemicarbazide
CID 5368036

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(ethylcarbamothioylamino)thiourea?
The IUPAC name of 1-amino-3-(ethylcarbamothioylamino)thiourea (CID 130721573) is 1-amino-3-(ethylcarbamothioylamino)thiourea.
What is the SMILES notation for 1-amino-3-(ethylcarbamothioylamino)thiourea?
The canonical SMILES for 1-amino-3-(ethylcarbamothioylamino)thiourea is CCNC(=S)NNC(=S)NN.
What is the InChIKey of 1-amino-3-(ethylcarbamothioylamino)thiourea?
The InChIKey is XUHMGAZVMKCNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N5S2/c1-2-6-3(10)8-9-4(11)7-5/h2,5H2,1H3,(H2,6,8,10)(H2,7,9,11).
What are the key properties of 1-amino-3-(ethylcarbamothioylamino)thiourea?
1-amino-3-(ethylcarbamothioylamino)thiourea has a molecular weight of 193.30 g/mol, XLogP of -1.28, 1 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(ethylcarbamothioylamino)thiourea is sourced from PubChem (CID 130721573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).