(2-azido-3-methoxypropyl)sulfanylbenzene

C10H13N3OS — CID 22730019

IUPAC(2-azido-3-methoxypropyl)sulfanylbenzene
SMILESCOCC(CSc1ccccc1)N=[N+]=[N-]
InChIInChI=1S/C10H13N3OS/c1-14-7-9(12-13-11)8-15-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3
InChIKeyYKTNWUYAOCQFOK-UHFFFAOYSA-N
MW223.30 g/mol
LogP3.10
Rot. Bonds6

About (2-azido-3-methoxypropyl)sulfanylbenzene

(2-azido-3-methoxypropyl)sulfanylbenzene (PubChem CID 22730019) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is (2-azido-3-methoxypropyl)sulfanylbenzene.

Molecular Properties

Compound Name(2-azido-3-methoxypropyl)sulfanylbenzene
PubChem CID22730019
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC Name(2-azido-3-methoxypropyl)sulfanylbenzene
SMILESCOCC(CSc1ccccc1)N=[N+]=[N-]
InChIInChI=1S/C10H13N3OS/c1-14-7-9(12-13-11)8-15-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3
InChIKeyYKTNWUYAOCQFOK-UHFFFAOYSA-N
XLogP3.10
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 53.10
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-Azidoethyl)sulfanyl]benzene
CID 13584846
3,4-Diazidobutylsulfanylbenzene
CID 138964211
1-(3-Fluorophenyl)sulfanyl-3-methoxypropan-2-amine
CID 79574093
1-Ethoxy-3-(3-fluorophenyl)sulfanylpropan-2-amine
CID 79574205
1-(3-Fluorophenyl)sulfanyl-3-propoxypropan-2-amine
CID 79574320
1-(4-Fluorophenyl)sulfanyl-3-methoxypropan-2-amine
CID 79574321
1-(2-Fluorophenyl)sulfanyl-3-methoxypropan-2-amine
CID 79574436
1-Ethoxy-3-(4-fluorophenyl)sulfanylpropan-2-amine
CID 79574438
1-Ethoxy-3-(2-fluorophenyl)sulfanylpropan-2-amine
CID 79574556
1-(4-Fluorophenyl)sulfanyl-3-propoxypropan-2-amine
CID 79574557
1-(2-Fluorophenyl)sulfanyl-3-propoxypropan-2-amine
CID 79574672
[1-(2-Fluorophenyl)sulfanyl-3-methoxypropan-2-yl]hydrazine
CID 105236266

Frequently Asked Questions

What is the IUPAC name of (2-azido-3-methoxypropyl)sulfanylbenzene?
The IUPAC name of (2-azido-3-methoxypropyl)sulfanylbenzene (CID 22730019) is (2-azido-3-methoxypropyl)sulfanylbenzene.
What is the SMILES notation for (2-azido-3-methoxypropyl)sulfanylbenzene?
The canonical SMILES for (2-azido-3-methoxypropyl)sulfanylbenzene is COCC(CSc1ccccc1)N=[N+]=[N-].
What is the InChIKey of (2-azido-3-methoxypropyl)sulfanylbenzene?
The InChIKey is YKTNWUYAOCQFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS/c1-14-7-9(12-13-11)8-15-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3.
What are the key properties of (2-azido-3-methoxypropyl)sulfanylbenzene?
(2-azido-3-methoxypropyl)sulfanylbenzene has a molecular weight of 223.30 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-azido-3-methoxypropyl)sulfanylbenzene is sourced from PubChem (CID 22730019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).