(3-amino-4-benzylsulfanylphenyl)methanol

C14H15NOS — CID 178200294

IUPAC(3-amino-4-benzylsulfanylphenyl)methanol
SMILESNc1cc(CO)ccc1SCc1ccccc1
InChIInChI=1S/C14H15NOS/c15-13-8-12(9-16)6-7-14(13)17-10-11-4-2-1-3-5-11/h1-8,16H,9-10,15H2
InChIKeyGKAUDTDKTGDKGR-UHFFFAOYSA-N
MW245.35 g/mol
LogP3.05
Rot. Bonds4

About (3-amino-4-benzylsulfanylphenyl)methanol

(3-amino-4-benzylsulfanylphenyl)methanol (PubChem CID 178200294) has the molecular formula C14H15NOS and a molecular weight of 245.35 g/mol. Its IUPAC name is (3-amino-4-benzylsulfanylphenyl)methanol.

Molecular Properties

Compound Name(3-amino-4-benzylsulfanylphenyl)methanol
PubChem CID178200294
Molecular FormulaC14H15NOS
Molecular Weight245.35 g/mol
Exact Mass245.09
IUPAC Name(3-amino-4-benzylsulfanylphenyl)methanol
SMILESNc1cc(CO)ccc1SCc1ccccc1
InChIInChI=1S/C14H15NOS/c15-13-8-12(9-16)6-7-14(13)17-10-11-4-2-1-3-5-11/h1-8,16H,9-10,15H2
InChIKeyGKAUDTDKTGDKGR-UHFFFAOYSA-N
XLogP3.05
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-[(2-aminophenyl)sulfanylmethyl]phenyl]methanol
CID 113365843
(4-benzylsulfanyl-3-bromophenyl)methanol
CID 114063168
methyl 3-amino-4-benzylsulfanylbenzoate
CID 61312286
[3-amino-4-[2-[(dimethylamino)methyl]phenyl]sulfanylphenyl]methanol;oxalic acid
CID 146079399
[4-(phenylsulfanylmethyl)phenyl]methanol
CID 59255239
2-[[4-[3-[4-[(2-aminophenyl)sulfanylmethyl]phenyl]phenyl]phenyl]methylsulfanyl]aniline
CID 71425347
2-amino-4-(hydroxymethyl)phenol
CID 12000270
1-benzylsulfanyl-2-(2-benzylsulfanylphenyl)benzene
CID 5199420
3-[(2-aminophenyl)sulfanylmethyl]benzoic acid
CID 61317411
4-amino-3-benzylsulfanylbenzamide
CID 55189643
5-fluoro-2-[(4-propan-2-ylphenyl)methylsulfanyl]aniline
CID 43304284
2-[4-[(2-amino-4-methylphenyl)sulfanylmethyl]phenyl]propanoic acid
CID 105345153

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-benzylsulfanylphenyl)methanol?
The IUPAC name of (3-amino-4-benzylsulfanylphenyl)methanol (CID 178200294) is (3-amino-4-benzylsulfanylphenyl)methanol.
What is the SMILES notation for (3-amino-4-benzylsulfanylphenyl)methanol?
The canonical SMILES for (3-amino-4-benzylsulfanylphenyl)methanol is Nc1cc(CO)ccc1SCc1ccccc1.
What is the InChIKey of (3-amino-4-benzylsulfanylphenyl)methanol?
The InChIKey is GKAUDTDKTGDKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NOS/c15-13-8-12(9-16)6-7-14(13)17-10-11-4-2-1-3-5-11/h1-8,16H,9-10,15H2.
What are the key properties of (3-amino-4-benzylsulfanylphenyl)methanol?
(3-amino-4-benzylsulfanylphenyl)methanol has a molecular weight of 245.35 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-benzylsulfanylphenyl)methanol is sourced from PubChem (CID 178200294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).