1-amino-3-(propylamino)thiourea

C4H12N4S — CID 154127857

IUPAC1-amino-3-(propylamino)thiourea
SMILESCCCNNC(=S)NN
InChIInChI=1S/C4H12N4S/c1-2-3-6-8-4(9)7-5/h6H,2-3,5H2,1H3,(H2,7,8,9)
InChIKeyFLNYXJZPLHWQFY-UHFFFAOYSA-N
MW148.24 g/mol
LogP-0.76
Rot. Bonds3

About 1-amino-3-(propylamino)thiourea

1-amino-3-(propylamino)thiourea (PubChem CID 154127857) has the molecular formula C4H12N4S and a molecular weight of 148.24 g/mol. Its IUPAC name is 1-amino-3-(propylamino)thiourea.

Molecular Properties

Compound Name1-amino-3-(propylamino)thiourea
PubChem CID154127857
Molecular FormulaC4H12N4S
Molecular Weight148.24 g/mol
Exact Mass148.08
IUPAC Name1-amino-3-(propylamino)thiourea
SMILESCCCNNC(=S)NN
InChIInChI=1S/C4H12N4S/c1-2-3-6-8-4(9)7-5/h6H,2-3,5H2,1H3,(H2,7,8,9)
InChIKeyFLNYXJZPLHWQFY-UHFFFAOYSA-N
XLogP-0.76
TPSA62.11 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.24
LogP ≤ 5-0.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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
6-(Propan-2-yl)-1,2,4,5-tetrazinane-3-thione
CID 4639638
1-Isopropylthiocarbohydrazide
CID 15647642
4-Cyclopropylaminothiosemicarbazide
CID 129869846
6-Propyl-1,2,4,5-tetrazinane-3-thione
CID 139233727
1-Hydrazinylbutylhydrazine
CID 18969803
N-(propylamino)methanethioamide
CID 20506674

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(propylamino)thiourea?
The IUPAC name of 1-amino-3-(propylamino)thiourea (CID 154127857) is 1-amino-3-(propylamino)thiourea.
What is the SMILES notation for 1-amino-3-(propylamino)thiourea?
The canonical SMILES for 1-amino-3-(propylamino)thiourea is CCCNNC(=S)NN.
What is the InChIKey of 1-amino-3-(propylamino)thiourea?
The InChIKey is FLNYXJZPLHWQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N4S/c1-2-3-6-8-4(9)7-5/h6H,2-3,5H2,1H3,(H2,7,8,9).
What are the key properties of 1-amino-3-(propylamino)thiourea?
1-amino-3-(propylamino)thiourea has a molecular weight of 148.24 g/mol, XLogP of -0.76, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(propylamino)thiourea is sourced from PubChem (CID 154127857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).