dicyclopropyloxymethanethione

C7H10O2S — CID 174610549

IUPACdicyclopropyloxymethanethione
SMILESS=C(OC1CC1)OC1CC1
InChIInChI=1S/C7H10O2S/c10-7(8-5-1-2-5)9-6-3-4-6/h5-6H,1-4H2
InChIKeyHAUBSZYZDGNDJA-UHFFFAOYSA-N
MW158.22 g/mol
LogP1.63
Rot. Bonds2

About dicyclopropyloxymethanethione

dicyclopropyloxymethanethione (PubChem CID 174610549) has the molecular formula C7H10O2S and a molecular weight of 158.22 g/mol. Its IUPAC name is dicyclopropyloxymethanethione.

Molecular Properties

Compound Namedicyclopropyloxymethanethione
PubChem CID174610549
Molecular FormulaC7H10O2S
Molecular Weight158.22 g/mol
Exact Mass158.04
IUPAC Namedicyclopropyloxymethanethione
SMILESS=C(OC1CC1)OC1CC1
InChIInChI=1S/C7H10O2S/c10-7(8-5-1-2-5)9-6-3-4-6/h5-6H,1-4H2
InChIKeyHAUBSZYZDGNDJA-UHFFFAOYSA-N
XLogP1.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

cyclododecyloxy(phenoxy)methanethione
CID 14200393
(4-carbonochloridoyloxycyclohexyl) carbonochloridate
CID 19931074
zinc cyclohexyloxymethanedithioic acid
CID 54608999
[4-(cyclohexanecarbonyloxy)cyclohexyl] cyclohexanecarboxylate
CID 118132173
potassium cyclodecyloxymethanedithioate
CID 157247255
cyclopropyl cyclopropanecarboxylate
CID 54407874
cyclohexyloxy-[3-(dimethylamino)propoxy]methanethione
CID 89343401
cyclopropyl 2-methylpropanoate
CID 54511576
cyclopropyl N,N-dimethylcarbamate
CID 91507793
cyclopropyl N'-methylcarbamimidate
CID 144698838
[4-(2-chloroacetyl)oxycyclohexyl] 2-chloroacetate
CID 11587091
carbamothioic S-acid;O-cyclohexyl carbamothioate
CID 174527740

Frequently Asked Questions

What is the IUPAC name of dicyclopropyloxymethanethione?
The IUPAC name of dicyclopropyloxymethanethione (CID 174610549) is dicyclopropyloxymethanethione.
What is the SMILES notation for dicyclopropyloxymethanethione?
The canonical SMILES for dicyclopropyloxymethanethione is S=C(OC1CC1)OC1CC1.
What is the InChIKey of dicyclopropyloxymethanethione?
The InChIKey is HAUBSZYZDGNDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2S/c10-7(8-5-1-2-5)9-6-3-4-6/h5-6H,1-4H2.
What are the key properties of dicyclopropyloxymethanethione?
dicyclopropyloxymethanethione has a molecular weight of 158.22 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclopropyloxymethanethione is sourced from PubChem (CID 174610549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).