cyclopropylmethoxymethyl carbamimidothioate

C6H12N2OS — CID 106931259

IUPACcyclopropylmethoxymethyl carbamimidothioate
SMILES[H]/N=C(\N)SCOCC1CC1
InChIInChI=1S/C6H12N2OS/c7-6(8)10-4-9-3-5-1-2-5/h5H,1-4H2,(H3,7,8)
InChIKeyJPAREGRISCDZQK-UHFFFAOYSA-N
MW160.24 g/mol
LogP1.00
Rot. Bonds4

About cyclopropylmethoxymethyl carbamimidothioate

cyclopropylmethoxymethyl carbamimidothioate (PubChem CID 106931259) has the molecular formula C6H12N2OS and a molecular weight of 160.24 g/mol. Its IUPAC name is cyclopropylmethoxymethyl carbamimidothioate.

Molecular Properties

Compound Namecyclopropylmethoxymethyl carbamimidothioate
PubChem CID106931259
Molecular FormulaC6H12N2OS
Molecular Weight160.24 g/mol
Exact Mass160.07
IUPAC Namecyclopropylmethoxymethyl carbamimidothioate
SMILES[H]/N=C(\N)SCOCC1CC1
InChIInChI=1S/C6H12N2OS/c7-6(8)10-4-9-3-5-1-2-5/h5H,1-4H2,(H3,7,8)
InChIKeyJPAREGRISCDZQK-UHFFFAOYSA-N
XLogP1.00
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

propoxymethyl carbamimidothioate
CID 55288894
prop-2-enoxymethyl carbamimidothioate
CID 166606970
3-(cyclopropylmethoxy)-2-methylpropanimidamide
CID 43368806
2-[7-(2-carbamimidoylsulfanylethyl)cyclododecyl]ethyl carbamimidothioate
CID 170227665
propan-2-yloxymethyl carbamimidothioate
CID 55288893
2-carbamimidoylsulfanylethyl carbamimidothioate dibromide
CID 21236844
3-ethoxypropyl carbamimidothioate
CID 65212394
cyclopropylmethyl N-(diaminomethylidene)carbamimidothioate
CID 83082831
cyclopropylmethoxymethylcyclopropane;hydron
CID 175036707
2-(2-hydroxyethoxy)ethyl carbamimidothioate
CID 65212281
2-hydrazinylideneethyl carbamimidothioate
CID 171036739
cycloheptyl carbamimidothioate
CID 82935855

Frequently Asked Questions

What is the IUPAC name of cyclopropylmethoxymethyl carbamimidothioate?
The IUPAC name of cyclopropylmethoxymethyl carbamimidothioate (CID 106931259) is cyclopropylmethoxymethyl carbamimidothioate.
What is the SMILES notation for cyclopropylmethoxymethyl carbamimidothioate?
The canonical SMILES for cyclopropylmethoxymethyl carbamimidothioate is [H]/N=C(\N)SCOCC1CC1.
What is the InChIKey of cyclopropylmethoxymethyl carbamimidothioate?
The InChIKey is JPAREGRISCDZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2OS/c7-6(8)10-4-9-3-5-1-2-5/h5H,1-4H2,(H3,7,8).
What are the key properties of cyclopropylmethoxymethyl carbamimidothioate?
cyclopropylmethoxymethyl carbamimidothioate has a molecular weight of 160.24 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethoxymethyl carbamimidothioate is sourced from PubChem (CID 106931259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).