2-bicyclo[2.2.1]heptanylthiourea

C8H14N2S — CID 19846475

IUPAC2-bicyclo[2.2.1]heptanylthiourea
SMILESNC(=S)NC1CC2CCC1C2
InChIInChI=1S/C8H14N2S/c9-8(11)10-7-4-5-1-2-6(7)3-5/h5-7H,1-4H2,(H3,9,10,11)
InChIKeyHXTOTKHBSWGCMX-UHFFFAOYSA-N
MW170.28 g/mol
LogP1.01
Rot. Bonds1

About 2-bicyclo[2.2.1]heptanylthiourea

2-bicyclo[2.2.1]heptanylthiourea (PubChem CID 19846475) has the molecular formula C8H14N2S and a molecular weight of 170.28 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]heptanylthiourea.

Molecular Properties

Compound Name2-bicyclo[2.2.1]heptanylthiourea
PubChem CID19846475
Molecular FormulaC8H14N2S
Molecular Weight170.28 g/mol
Exact Mass170.09
IUPAC Name2-bicyclo[2.2.1]heptanylthiourea
SMILESNC(=S)NC1CC2CCC1C2
InChIInChI=1S/C8H14N2S/c9-8(11)10-7-4-5-1-2-6(7)3-5/h5-7H,1-4H2,(H3,9,10,11)
InChIKeyHXTOTKHBSWGCMX-UHFFFAOYSA-N
XLogP1.01
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N1-bicyclo[2.2.1]hept-2-yl-2,2-dimethylhydrazine-1-carbothioamide
CID 2809358
N-(2-bicyclo[2.2.1]heptanyl)-4-methylpiperidine-1-carbothioamide
CID 2809352
N-bicyclo[2.2.1]hept-2-yl-N'-methylthiourea
CID 2809354
N-(Bicyclo[2.2.1]heptan-2-yl)hydrazinecarbothioamide
CID 2809356
N-(2-bicyclo[2.2.1]heptanyl)-3-methylpiperidine-1-carbothioamide
CID 2809372
1-(2-Bicyclo[2.2.1]heptanyl)-3-ethylthiourea
CID 3150984
1-((1R,2S,4R)-5,5-difluorobicyclo[2.2.1]heptan-2-yl)thiourea
CID 58929558
(5,5-Difluoro-2-bicyclo[2.2.1]heptanyl)thiourea
CID 72466167
[(1R,2S,4S)-5,5-difluoro-2-bicyclo[2.2.1]heptanyl]thiourea
CID 87265495
[(2S,4R)-5,5-difluoro-2-bicyclo[2.2.1]heptanyl]thiourea
CID 88586655
1-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-3-methylthiourea
CID 18389460
3-(2-Bicyclo[2.2.1]heptanyl)-1-(2-cyanoethyl)-1-methylthiourea
CID 16275279

Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]heptanylthiourea?
The IUPAC name of 2-bicyclo[2.2.1]heptanylthiourea (CID 19846475) is 2-bicyclo[2.2.1]heptanylthiourea.
What is the SMILES notation for 2-bicyclo[2.2.1]heptanylthiourea?
The canonical SMILES for 2-bicyclo[2.2.1]heptanylthiourea is NC(=S)NC1CC2CCC1C2.
What is the InChIKey of 2-bicyclo[2.2.1]heptanylthiourea?
The InChIKey is HXTOTKHBSWGCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2S/c9-8(11)10-7-4-5-1-2-6(7)3-5/h5-7H,1-4H2,(H3,9,10,11).
What are the key properties of 2-bicyclo[2.2.1]heptanylthiourea?
2-bicyclo[2.2.1]heptanylthiourea has a molecular weight of 170.28 g/mol, XLogP of 1.01, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]heptanylthiourea is sourced from PubChem (CID 19846475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).