1-amino-3-(ethylamino)thiourea

C3H10N4S — CID 154152356

IUPAC1-amino-3-(ethylamino)thiourea
SMILESCCNNC(=S)NN
InChIInChI=1S/C3H10N4S/c1-2-5-7-3(8)6-4/h5H,2,4H2,1H3,(H2,6,7,8)
InChIKeyZHDOHWDZWBCTNZ-UHFFFAOYSA-N
MW134.21 g/mol
LogP-1.15
Rot. Bonds2

About 1-amino-3-(ethylamino)thiourea

1-amino-3-(ethylamino)thiourea (PubChem CID 154152356) has the molecular formula C3H10N4S and a molecular weight of 134.21 g/mol. Its IUPAC name is 1-amino-3-(ethylamino)thiourea.

Molecular Properties

Compound Name1-amino-3-(ethylamino)thiourea
PubChem CID154152356
Molecular FormulaC3H10N4S
Molecular Weight134.21 g/mol
Exact Mass134.06
IUPAC Name1-amino-3-(ethylamino)thiourea
SMILESCCNNC(=S)NN
InChIInChI=1S/C3H10N4S/c1-2-5-7-3(8)6-4/h5H,2,4H2,1H3,(H2,6,7,8)
InChIKeyZHDOHWDZWBCTNZ-UHFFFAOYSA-N
XLogP-1.15
TPSA62.11 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.21
LogP ≤ 5-1.15
H-Bond Donors ≤ 54
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

Hydrazinecarbothioamide, 2-propyl-
CID 3374478
2-Ethylhydrazinecarbothioamide
CID 22105028
Butylthiosemicarbazide
CID 23054747
N-isopropylthiosemicarbazone
CID 55288596
Ethane-1,2-dithiosemicarbazide
CID 138478536
ST51003339
CID 5062205
1-Isopropylthiocarbohydrazide
CID 15647642
1-Hydrazinylethylhydrazine
CID 18969806
ethylaminothiourea;N-methylmethanamine
CID 23318727
(Butan-2-ylamino)thiourea
CID 55290297
(2-Methylpropylamino)thiourea
CID 55290300
2-Ethyltetrazolidine-5-thione
CID 88708065

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(ethylamino)thiourea?
The IUPAC name of 1-amino-3-(ethylamino)thiourea (CID 154152356) is 1-amino-3-(ethylamino)thiourea.
What is the SMILES notation for 1-amino-3-(ethylamino)thiourea?
The canonical SMILES for 1-amino-3-(ethylamino)thiourea is CCNNC(=S)NN.
What is the InChIKey of 1-amino-3-(ethylamino)thiourea?
The InChIKey is ZHDOHWDZWBCTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10N4S/c1-2-5-7-3(8)6-4/h5H,2,4H2,1H3,(H2,6,7,8).
What are the key properties of 1-amino-3-(ethylamino)thiourea?
1-amino-3-(ethylamino)thiourea has a molecular weight of 134.21 g/mol, XLogP of -1.15, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(ethylamino)thiourea is sourced from PubChem (CID 154152356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).