(cyclopentylideneamino)thiourea

C6H11N3S — CID 690102

IUPAC(cyclopentylideneamino)thiourea
SMILESNC(=S)NN=C1CCCC1
InChIInChI=1S/C6H11N3S/c7-6(10)9-8-5-3-1-2-4-5/h1-4H2,(H3,7,9,10)
InChIKeyPKHFATUAFMXAKP-UHFFFAOYSA-N
MW157.24 g/mol
LogP0.75
Rot. Bonds1

About (cyclopentylideneamino)thiourea

(cyclopentylideneamino)thiourea (PubChem CID 690102) has the molecular formula C6H11N3S and a molecular weight of 157.24 g/mol. Its IUPAC name is (cyclopentylideneamino)thiourea.

Molecular Properties

Compound Name(cyclopentylideneamino)thiourea
PubChem CID690102
Molecular FormulaC6H11N3S
Molecular Weight157.24 g/mol
Exact Mass157.07
IUPAC Name(cyclopentylideneamino)thiourea
SMILESNC(=S)NN=C1CCCC1
InChIInChI=1S/C6H11N3S/c7-6(10)9-8-5-3-1-2-4-5/h1-4H2,(H3,7,9,10)
InChIKeyPKHFATUAFMXAKP-UHFFFAOYSA-N
XLogP0.75
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.24
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 (cyclopentylideneamino)thiourea?
The IUPAC name of (cyclopentylideneamino)thiourea (CID 690102) is (cyclopentylideneamino)thiourea.
What is the SMILES notation for (cyclopentylideneamino)thiourea?
The canonical SMILES for (cyclopentylideneamino)thiourea is NC(=S)NN=C1CCCC1.
What is the InChIKey of (cyclopentylideneamino)thiourea?
The InChIKey is PKHFATUAFMXAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3S/c7-6(10)9-8-5-3-1-2-4-5/h1-4H2,(H3,7,9,10).
What are the key properties of (cyclopentylideneamino)thiourea?
(cyclopentylideneamino)thiourea has a molecular weight of 157.24 g/mol, XLogP of 0.75, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (cyclopentylideneamino)thiourea is sourced from PubChem (CID 690102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).