2-(azidomethyl)-3-(methylsulfanylmethyl)furan

C7H9N3OS — CID 86591650

IUPAC2-(azidomethyl)-3-(methylsulfanylmethyl)furan
SMILESCSCc1ccoc1CN=[N+]=[N-]
InChIInChI=1S/C7H9N3OS/c1-12-5-6-2-3-11-7(6)4-9-10-8/h2-3H,4-5H2,1H3
InChIKeyICQBTSAHPDLTLF-UHFFFAOYSA-N
MW183.24 g/mol
LogP2.95
Rot. Bonds4

About 2-(azidomethyl)-3-(methylsulfanylmethyl)furan

2-(azidomethyl)-3-(methylsulfanylmethyl)furan (PubChem CID 86591650) has the molecular formula C7H9N3OS and a molecular weight of 183.24 g/mol. Its IUPAC name is 2-(azidomethyl)-3-(methylsulfanylmethyl)furan.

Molecular Properties

Compound Name2-(azidomethyl)-3-(methylsulfanylmethyl)furan
PubChem CID86591650
Molecular FormulaC7H9N3OS
Molecular Weight183.24 g/mol
Exact Mass183.05
IUPAC Name2-(azidomethyl)-3-(methylsulfanylmethyl)furan
SMILESCSCc1ccoc1CN=[N+]=[N-]
InChIInChI=1S/C7H9N3OS/c1-12-5-6-2-3-11-7(6)4-9-10-8/h2-3H,4-5H2,1H3
InChIKeyICQBTSAHPDLTLF-UHFFFAOYSA-N
XLogP2.95
TPSA61.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.24
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

2-(azidomethyl)-3-(2-phenylethynyl)furan
CID 102300153
3-azido-N-methyl-N-[(2-methylfuran-3-yl)methyl]propan-1-amine
CID 61426945
5-(azidomethyl)-1,2-oxazole
CID 46942310
5-(azidomethyl)-3-methyl-4-phenyl-1,2-oxazole
CID 123950746
1-(azidomethyl)-2-methoxybenzene
CID 11263685
6-(azidomethyl)bicyclo[3.1.0]hexa-1(6),2,4-triene
CID 174537571
1-(azidomethyl)-4-(difluoromethylsulfanyl)benzene
CID 152694403
3-(azidomethyl)-6-methylpyridine-2-carbonitrile
CID 22929806
1-ethoxy-2-(methylsulfanylmethyl)benzene
CID 130225008
4-(azidomethyl)-5-(nitrosomethyl)-1,3-dioxol-2-one
CID 122448192
1,4-dimethyl-2-(methylsulfanylmethyl)benzene
CID 11768926
1-(azidomethyl)-4-fluorobenzene
CID 11205864

Frequently Asked Questions

What is the IUPAC name of 2-(azidomethyl)-3-(methylsulfanylmethyl)furan?
The IUPAC name of 2-(azidomethyl)-3-(methylsulfanylmethyl)furan (CID 86591650) is 2-(azidomethyl)-3-(methylsulfanylmethyl)furan.
What is the SMILES notation for 2-(azidomethyl)-3-(methylsulfanylmethyl)furan?
The canonical SMILES for 2-(azidomethyl)-3-(methylsulfanylmethyl)furan is CSCc1ccoc1CN=[N+]=[N-].
What is the InChIKey of 2-(azidomethyl)-3-(methylsulfanylmethyl)furan?
The InChIKey is ICQBTSAHPDLTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3OS/c1-12-5-6-2-3-11-7(6)4-9-10-8/h2-3H,4-5H2,1H3.
What are the key properties of 2-(azidomethyl)-3-(methylsulfanylmethyl)furan?
2-(azidomethyl)-3-(methylsulfanylmethyl)furan has a molecular weight of 183.24 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azidomethyl)-3-(methylsulfanylmethyl)furan is sourced from PubChem (CID 86591650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).