3-amino-1,1-bis(ethylamino)thiourea

C5H15N5S — CID 174665730

IUPAC3-amino-1,1-bis(ethylamino)thiourea
SMILESCCNN(NCC)C(=S)NN
InChIInChI=1S/C5H15N5S/c1-3-7-10(8-4-2)5(11)9-6/h7-8H,3-4,6H2,1-2H3,(H,9,11)
InChIKeyHVJPOEOSRMBGLN-UHFFFAOYSA-N
MW177.28 g/mol
LogP-0.91
Rot. Bonds4

About 3-amino-1,1-bis(ethylamino)thiourea

3-amino-1,1-bis(ethylamino)thiourea (PubChem CID 174665730) has the molecular formula C5H15N5S and a molecular weight of 177.28 g/mol. Its IUPAC name is 3-amino-1,1-bis(ethylamino)thiourea.

Molecular Properties

Compound Name3-amino-1,1-bis(ethylamino)thiourea
PubChem CID174665730
Molecular FormulaC5H15N5S
Molecular Weight177.28 g/mol
Exact Mass177.10
IUPAC Name3-amino-1,1-bis(ethylamino)thiourea
SMILESCCNN(NCC)C(=S)NN
InChIInChI=1S/C5H15N5S/c1-3-7-10(8-4-2)5(11)9-6/h7-8H,3-4,6H2,1-2H3,(H,9,11)
InChIKeyHVJPOEOSRMBGLN-UHFFFAOYSA-N
XLogP-0.91
TPSA65.35 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.28
LogP ≤ 5-0.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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
6-Propyl-1,2,4,5-tetrazinane-3-thione
CID 139233727
ethylaminothiourea;N-methylmethanamine
CID 23318727
ethylaminothiourea;N-ethylethanamine
CID 23318743
[2-(Dimethylamino)ethylamino]thiourea
CID 53960557
(Butan-2-ylamino)thiourea
CID 55290297

Frequently Asked Questions

What is the IUPAC name of 3-amino-1,1-bis(ethylamino)thiourea?
The IUPAC name of 3-amino-1,1-bis(ethylamino)thiourea (CID 174665730) is 3-amino-1,1-bis(ethylamino)thiourea.
What is the SMILES notation for 3-amino-1,1-bis(ethylamino)thiourea?
The canonical SMILES for 3-amino-1,1-bis(ethylamino)thiourea is CCNN(NCC)C(=S)NN.
What is the InChIKey of 3-amino-1,1-bis(ethylamino)thiourea?
The InChIKey is HVJPOEOSRMBGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H15N5S/c1-3-7-10(8-4-2)5(11)9-6/h7-8H,3-4,6H2,1-2H3,(H,9,11).
What are the key properties of 3-amino-1,1-bis(ethylamino)thiourea?
3-amino-1,1-bis(ethylamino)thiourea has a molecular weight of 177.28 g/mol, XLogP of -0.91, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1,1-bis(ethylamino)thiourea is sourced from PubChem (CID 174665730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).