1-amino-3-cyclopropylthiourea;hydrochloride

C4H10ClN3S — CID 162316062

IUPAC1-amino-3-cyclopropylthiourea;hydrochloride
SMILESCl.NNC(=S)NC1CC1
InChIInChI=1S/C4H9N3S.ClH/c5-7-4(8)6-3-1-2-3;/h3H,1-2,5H2,(H2,6,7,8);1H
InChIKeyDGUAYPLWGBMRRG-UHFFFAOYSA-N
MW167.66 g/mol
LogP-0.09
Rot. Bonds1

About 1-amino-3-cyclopropylthiourea;hydrochloride

1-amino-3-cyclopropylthiourea;hydrochloride (PubChem CID 162316062) has the molecular formula C4H10ClN3S and a molecular weight of 167.66 g/mol. Its IUPAC name is 1-amino-3-cyclopropylthiourea;hydrochloride.

Molecular Properties

Compound Name1-amino-3-cyclopropylthiourea;hydrochloride
PubChem CID162316062
Molecular FormulaC4H10ClN3S
Molecular Weight167.66 g/mol
Exact Mass167.03
IUPAC Name1-amino-3-cyclopropylthiourea;hydrochloride
SMILESCl.NNC(=S)NC1CC1
InChIInChI=1S/C4H9N3S.ClH/c5-7-4(8)6-3-1-2-3;/h3H,1-2,5H2,(H2,6,7,8);1H
InChIKeyDGUAYPLWGBMRRG-UHFFFAOYSA-N
XLogP-0.09
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.66
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-cyclopropylthiourea;hydrochloride?
The IUPAC name of 1-amino-3-cyclopropylthiourea;hydrochloride (CID 162316062) is 1-amino-3-cyclopropylthiourea;hydrochloride.
What is the SMILES notation for 1-amino-3-cyclopropylthiourea;hydrochloride?
The canonical SMILES for 1-amino-3-cyclopropylthiourea;hydrochloride is Cl.NNC(=S)NC1CC1.
What is the InChIKey of 1-amino-3-cyclopropylthiourea;hydrochloride?
The InChIKey is DGUAYPLWGBMRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3S.ClH/c5-7-4(8)6-3-1-2-3;/h3H,1-2,5H2,(H2,6,7,8);1H.
What are the key properties of 1-amino-3-cyclopropylthiourea;hydrochloride?
1-amino-3-cyclopropylthiourea;hydrochloride has a molecular weight of 167.66 g/mol, XLogP of -0.09, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-cyclopropylthiourea;hydrochloride is sourced from PubChem (CID 162316062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).