1-amino-1-propylthiourea

C4H11N3S — CID 22301223

IUPAC1-amino-1-propylthiourea
SMILESCCCN(N)C(N)=S
InChIInChI=1S/C4H11N3S/c1-2-3-7(6)4(5)8/h2-3,6H2,1H3,(H2,5,8)
InChIKeyXUZFXRKTPPDWMN-UHFFFAOYSA-N
MW133.22 g/mol
LogP-0.18
Rot. Bonds2

About 1-amino-1-propylthiourea

1-amino-1-propylthiourea (PubChem CID 22301223) has the molecular formula C4H11N3S and a molecular weight of 133.22 g/mol. Its IUPAC name is 1-amino-1-propylthiourea.

Molecular Properties

Compound Name1-amino-1-propylthiourea
PubChem CID22301223
Molecular FormulaC4H11N3S
Molecular Weight133.22 g/mol
Exact Mass133.07
IUPAC Name1-amino-1-propylthiourea
SMILESCCCN(N)C(N)=S
InChIInChI=1S/C4H11N3S/c1-2-3-7(6)4(5)8/h2-3,6H2,1H3,(H2,5,8)
InChIKeyXUZFXRKTPPDWMN-UHFFFAOYSA-N
XLogP-0.18
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.22
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

1-Ethylhydrazine-1-carbothioamide
CID 13741852
Amino-isopropylisothiourea
CID 20847906
Amino-ethylisothiourea dihydrobromide
CID 129717330
Amino-ethylthiuronium bromide
CID 129723122
1-Amino-1-cyclopropylthiourea
CID 20849946
1-Amino-1-(3-methylbutyl)thiourea
CID 20849967
1-Amino-1-pentylthiourea
CID 20849971
1-Amino-1-butylthiourea
CID 22301220
1-(2-Methylpropyl)hydrazine-1-carbothioamide
CID 55290675
1-Amino-1-[3-(diethylamino)propyl]thiourea
CID 87317226
1-Ethyl-1-(methylamino)thiourea;hydrochloride
CID 87435887
1-(Carbamothioylamino)-1-propylthiourea
CID 87990565

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-propylthiourea?
The IUPAC name of 1-amino-1-propylthiourea (CID 22301223) is 1-amino-1-propylthiourea.
What is the SMILES notation for 1-amino-1-propylthiourea?
The canonical SMILES for 1-amino-1-propylthiourea is CCCN(N)C(N)=S.
What is the InChIKey of 1-amino-1-propylthiourea?
The InChIKey is XUZFXRKTPPDWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N3S/c1-2-3-7(6)4(5)8/h2-3,6H2,1H3,(H2,5,8).
What are the key properties of 1-amino-1-propylthiourea?
1-amino-1-propylthiourea has a molecular weight of 133.22 g/mol, XLogP of -0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-propylthiourea is sourced from PubChem (CID 22301223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).