3-amino-1,1-di(propan-2-yl)thiourea

C7H17N3S — CID 55279270

IUPAC3-amino-1,1-di(propan-2-yl)thiourea
SMILESCC(C)N(C(=S)NN)C(C)C
InChIInChI=1S/C7H17N3S/c1-5(2)10(6(3)4)7(11)9-8/h5-6H,8H2,1-4H3,(H,9,11)
InChIKeyWGLIMENOMXJJGZ-UHFFFAOYSA-N
MW175.30 g/mol
LogP0.85
Rot. Bonds2

About 3-amino-1,1-di(propan-2-yl)thiourea

3-amino-1,1-di(propan-2-yl)thiourea (PubChem CID 55279270) has the molecular formula C7H17N3S and a molecular weight of 175.30 g/mol. Its IUPAC name is 3-amino-1,1-di(propan-2-yl)thiourea.

Molecular Properties

Compound Name3-amino-1,1-di(propan-2-yl)thiourea
PubChem CID55279270
Molecular FormulaC7H17N3S
Molecular Weight175.30 g/mol
Exact Mass175.11
IUPAC Name3-amino-1,1-di(propan-2-yl)thiourea
SMILESCC(C)N(C(=S)NN)C(C)C
InChIInChI=1S/C7H17N3S/c1-5(2)10(6(3)4)7(11)9-8/h5-6H,8H2,1-4H3,(H,9,11)
InChIKeyWGLIMENOMXJJGZ-UHFFFAOYSA-N
XLogP0.85
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 50.85
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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Frequently Asked Questions

What is the IUPAC name of 3-amino-1,1-di(propan-2-yl)thiourea?
The IUPAC name of 3-amino-1,1-di(propan-2-yl)thiourea (CID 55279270) is 3-amino-1,1-di(propan-2-yl)thiourea.
What is the SMILES notation for 3-amino-1,1-di(propan-2-yl)thiourea?
The canonical SMILES for 3-amino-1,1-di(propan-2-yl)thiourea is CC(C)N(C(=S)NN)C(C)C.
What is the InChIKey of 3-amino-1,1-di(propan-2-yl)thiourea?
The InChIKey is WGLIMENOMXJJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3S/c1-5(2)10(6(3)4)7(11)9-8/h5-6H,8H2,1-4H3,(H,9,11).
What are the key properties of 3-amino-1,1-di(propan-2-yl)thiourea?
3-amino-1,1-di(propan-2-yl)thiourea has a molecular weight of 175.30 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1,1-di(propan-2-yl)thiourea is sourced from PubChem (CID 55279270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).