S-(3-methylphenyl)thiohydroxylamine;pentahydrofluoride

C7H14F5NS — CID 173046661

IUPACS-(3-methylphenyl)thiohydroxylamine;pentahydrofluoride
SMILESCc1cccc(SN)c1.F.F.F.F.F
InChIInChI=1S/C7H9NS.5FH/c1-6-3-2-4-7(5-6)9-8;;;;;/h2-5H,8H2,1H3;5*1H
InChIKeyXNXLNCVVGVEPTP-UHFFFAOYSA-N
MW239.25 g/mol
LogP2.72
Rot. Bonds1

About S-(3-methylphenyl)thiohydroxylamine;pentahydrofluoride

S-(3-methylphenyl)thiohydroxylamine;pentahydrofluoride (PubChem CID 173046661) has the molecular formula C7H14F5NS and a molecular weight of 239.25 g/mol. Its IUPAC name is S-(3-methylphenyl)thiohydroxylamine;pentahydrofluoride.

Molecular Properties

Compound NameS-(3-methylphenyl)thiohydroxylamine;pentahydrofluoride
PubChem CID173046661
Molecular FormulaC7H14F5NS
Molecular Weight239.25 g/mol
Exact Mass239.08
IUPAC NameS-(3-methylphenyl)thiohydroxylamine;pentahydrofluoride
SMILESCc1cccc(SN)c1.F.F.F.F.F
InChIInChI=1S/C7H9NS.5FH/c1-6-3-2-4-7(5-6)9-8;;;;;/h2-5H,8H2,1H3;5*1H
InChIKeyXNXLNCVVGVEPTP-UHFFFAOYSA-N
XLogP2.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3-methylphenyl)sulfanylhydrazine
CID 117036019
1-(3-methylphenyl)sulfanylethanamine
CID 117032496
ethane;1-(3-methylphenyl)sulfanylpropan-2-amine
CID 145087254
S-(3-tert-butylphenyl)thiohydroxylamine
CID 121369608
1,2-bis[(3-methylphenyl)sulfanyl]benzene
CID 58715664
1-methyl-3-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene
CID 143856903
trimethyl-(3-methylphenyl)sulfanylsilane
CID 12755162
3-methyl-5-(3-methylphenyl)sulfanylaniline
CID 112648769
1-(2,2-difluoroethylsulfanyl)-3-methylbenzene
CID 130741881
ethane;1-methyl-3-propan-2-ylsulfanylbenzene
CID 172609121
1-(3-methylphenyl)sulfanylpropan-2-ol
CID 61244165
2-(3-methylphenyl)sulfanylpropan-2-ol
CID 117034561

Frequently Asked Questions

What is the IUPAC name of S-(3-methylphenyl)thiohydroxylamine;pentahydrofluoride?
The IUPAC name of S-(3-methylphenyl)thiohydroxylamine;pentahydrofluoride (CID 173046661) is S-(3-methylphenyl)thiohydroxylamine;pentahydrofluoride.
What is the SMILES notation for S-(3-methylphenyl)thiohydroxylamine;pentahydrofluoride?
The canonical SMILES for S-(3-methylphenyl)thiohydroxylamine;pentahydrofluoride is Cc1cccc(SN)c1.F.F.F.F.F.
What is the InChIKey of S-(3-methylphenyl)thiohydroxylamine;pentahydrofluoride?
The InChIKey is XNXLNCVVGVEPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NS.5FH/c1-6-3-2-4-7(5-6)9-8;;;;;/h2-5H,8H2,1H3;5*1H.
What are the key properties of S-(3-methylphenyl)thiohydroxylamine;pentahydrofluoride?
S-(3-methylphenyl)thiohydroxylamine;pentahydrofluoride has a molecular weight of 239.25 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for S-(3-methylphenyl)thiohydroxylamine;pentahydrofluoride is sourced from PubChem (CID 173046661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).