benzyl N-hydroxyfuran-2-carboximidothioate

C12H11NO2S — CID 131873115

IUPACbenzyl N-hydroxyfuran-2-carboximidothioate
SMILESON=C(SCc1ccccc1)c1ccco1
InChIInChI=1S/C12H11NO2S/c14-13-12(11-7-4-8-15-11)16-9-10-5-2-1-3-6-10/h1-8,14H,9H2
InChIKeyTULUKHPEAMQDAS-UHFFFAOYSA-N
MW233.29 g/mol
LogP3.35
Rot. Bonds3

About benzyl N-hydroxyfuran-2-carboximidothioate

benzyl N-hydroxyfuran-2-carboximidothioate (PubChem CID 131873115) has the molecular formula C12H11NO2S and a molecular weight of 233.29 g/mol. Its IUPAC name is benzyl N-hydroxyfuran-2-carboximidothioate.

Molecular Properties

Compound Namebenzyl N-hydroxyfuran-2-carboximidothioate
PubChem CID131873115
Molecular FormulaC12H11NO2S
Molecular Weight233.29 g/mol
Exact Mass233.05
IUPAC Namebenzyl N-hydroxyfuran-2-carboximidothioate
SMILESON=C(SCc1ccccc1)c1ccco1
InChIInChI=1S/C12H11NO2S/c14-13-12(11-7-4-8-15-11)16-9-10-5-2-1-3-6-10/h1-8,14H,9H2
InChIKeyTULUKHPEAMQDAS-UHFFFAOYSA-N
XLogP3.35
TPSA45.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl (2E)-N-hydroxyfuran-2-carboximidothioate
CID 119098066
benzyl (Z)-3-(furan-2-yl)-3-hydroxyprop-2-enedithioate
CID 136716597
bis((E)-benzylsulfanyl-[(E)-1-(furan-2-yl)ethylidenehydrazinylidene]-sulfidomethane);lead(2+)
CID 15973330
N-[2-diphenylphosphanyl-1-(furan-2-yl)ethylidene]hydroxylamine
CID 151211665
benzyl N'-benzamido-N-(furan-2-carbonyl)carbamimidothioate
CID 137310004
bis((NZ)-N-[(2Z)-1,2-bis(furan-2-yl)-2-hydroxyiminoethylidene]hydroxylamine);copper
CID 135436493
2-benzylsulfanylfuran
CID 12535616
(3Z)-3-(furan-2-yl)-3-hydroxyiminopropanoic acid
CID 55250666
(2Z)-2-(furan-2-yl)-2-hydroxyiminoacetic acid
CID 14556124
CID 42622868
CID 42622868
benzylsulfanylmethanethioic S-acid;hydrochloride
CID 88841648
2-[(Z)-C-(furan-2-yl)-N-hydroxycarbonimidoyl]phenol
CID 135463584

Frequently Asked Questions

What is the IUPAC name of benzyl N-hydroxyfuran-2-carboximidothioate?
The IUPAC name of benzyl N-hydroxyfuran-2-carboximidothioate (CID 131873115) is benzyl N-hydroxyfuran-2-carboximidothioate.
What is the SMILES notation for benzyl N-hydroxyfuran-2-carboximidothioate?
The canonical SMILES for benzyl N-hydroxyfuran-2-carboximidothioate is ON=C(SCc1ccccc1)c1ccco1.
What is the InChIKey of benzyl N-hydroxyfuran-2-carboximidothioate?
The InChIKey is TULUKHPEAMQDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2S/c14-13-12(11-7-4-8-15-11)16-9-10-5-2-1-3-6-10/h1-8,14H,9H2.
What are the key properties of benzyl N-hydroxyfuran-2-carboximidothioate?
benzyl N-hydroxyfuran-2-carboximidothioate has a molecular weight of 233.29 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-hydroxyfuran-2-carboximidothioate is sourced from PubChem (CID 131873115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).