1-ethyl-3-(ethylcarbamothioylamino)thiourea

C6H14N4S2 — CID 3500055

IUPAC1-ethyl-3-(ethylcarbamothioylamino)thiourea
SMILESCCNC(=S)NNC(=S)NCC
InChIInChI=1S/C6H14N4S2/c1-3-7-5(11)9-10-6(12)8-4-2/h3-4H2,1-2H3,(H2,7,9,11)(H2,8,10,12)
InChIKeyPPMXYSSOKOGTBT-UHFFFAOYSA-N
MW206.34 g/mol
LogP-0.13
Rot. Bonds2

About 1-ethyl-3-(ethylcarbamothioylamino)thiourea

1-ethyl-3-(ethylcarbamothioylamino)thiourea (PubChem CID 3500055) has the molecular formula C6H14N4S2 and a molecular weight of 206.34 g/mol. Its IUPAC name is 1-ethyl-3-(ethylcarbamothioylamino)thiourea.

Molecular Properties

Compound Name1-ethyl-3-(ethylcarbamothioylamino)thiourea
PubChem CID3500055
Molecular FormulaC6H14N4S2
Molecular Weight206.34 g/mol
Exact Mass206.07
IUPAC Name1-ethyl-3-(ethylcarbamothioylamino)thiourea
SMILESCCNC(=S)NNC(=S)NCC
InChIInChI=1S/C6H14N4S2/c1-3-7-5(11)9-10-6(12)8-4-2/h3-4H2,1-2H3,(H2,7,9,11)(H2,8,10,12)
InChIKeyPPMXYSSOKOGTBT-UHFFFAOYSA-N
XLogP-0.13
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.34
LogP ≤ 5-0.13
H-Bond Donors ≤ 54
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-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
(Ethylcarbamothioylamino)urea
CID 3981044
1-Amino-3-(ethylcarbamothioylamino)thiourea
CID 130721573
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-ethyl-3-(ethylcarbamothioylamino)thiourea?
The IUPAC name of 1-ethyl-3-(ethylcarbamothioylamino)thiourea (CID 3500055) is 1-ethyl-3-(ethylcarbamothioylamino)thiourea.
What is the SMILES notation for 1-ethyl-3-(ethylcarbamothioylamino)thiourea?
The canonical SMILES for 1-ethyl-3-(ethylcarbamothioylamino)thiourea is CCNC(=S)NNC(=S)NCC.
What is the InChIKey of 1-ethyl-3-(ethylcarbamothioylamino)thiourea?
The InChIKey is PPMXYSSOKOGTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N4S2/c1-3-7-5(11)9-10-6(12)8-4-2/h3-4H2,1-2H3,(H2,7,9,11)(H2,8,10,12).
What are the key properties of 1-ethyl-3-(ethylcarbamothioylamino)thiourea?
1-ethyl-3-(ethylcarbamothioylamino)thiourea has a molecular weight of 206.34 g/mol, XLogP of -0.13, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(ethylcarbamothioylamino)thiourea is sourced from PubChem (CID 3500055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).