propylaminothiourea

C4H11N3S — CID 3374478

IUPACpropylaminothiourea
SMILESCCCNNC(N)=S
InChIInChI=1S/C4H11N3S/c1-2-3-6-7-4(5)8/h6H,2-3H2,1H3,(H3,5,7,8)
InChIKeyQEARVTSEDYKCLK-UHFFFAOYSA-N
MW133.22 g/mol
LogP-0.27
Rot. Bonds3

About propylaminothiourea

propylaminothiourea (PubChem CID 3374478) has the molecular formula C4H11N3S and a molecular weight of 133.22 g/mol. Its IUPAC name is propylaminothiourea.

Molecular Properties

Compound Namepropylaminothiourea
PubChem CID3374478
Molecular FormulaC4H11N3S
Molecular Weight133.22 g/mol
Exact Mass133.07
IUPAC Namepropylaminothiourea
SMILESCCCNNC(N)=S
InChIInChI=1S/C4H11N3S/c1-2-3-6-7-4(5)8/h6H,2-3H2,1H3,(H3,5,7,8)
InChIKeyQEARVTSEDYKCLK-UHFFFAOYSA-N
XLogP-0.27
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.22
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

2-Ethylhydrazinecarbothioamide
CID 22105028
Butylthiosemicarbazide
CID 23054747
N-isopropylthiosemicarbazone
CID 55288596
N-cyclopropylthiosemicarbazone
CID 86616261
Ethane-1,2-dithiosemicarbazide
CID 138478536
(1-Fluoropentylamino)thiourea
CID 88665073
1-Isopropylthiocarbohydrazide
CID 15647642
6-Propyl-1,2,4,5-tetrazinane-3-thione
CID 139233727
N-(propylamino)methanethioamide
CID 20506674
(Hexylamino)thiourea
CID 20555832
1-(2-Propylhydrazinyl)ethanamine
CID 22600493
1-Methyl-3-(propylamino)thiourea
CID 55286481

Frequently Asked Questions

What is the IUPAC name of propylaminothiourea?
The IUPAC name of propylaminothiourea (CID 3374478) is propylaminothiourea.
What is the SMILES notation for propylaminothiourea?
The canonical SMILES for propylaminothiourea is CCCNNC(N)=S.
What is the InChIKey of propylaminothiourea?
The InChIKey is QEARVTSEDYKCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N3S/c1-2-3-6-7-4(5)8/h6H,2-3H2,1H3,(H3,5,7,8).
What are the key properties of propylaminothiourea?
propylaminothiourea has a molecular weight of 133.22 g/mol, XLogP of -0.27, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propylaminothiourea is sourced from PubChem (CID 3374478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).