aminosulfanyl-(2-hydroxyphenyl)methanediol

C7H9NO3S — CID 154431600

IUPACaminosulfanyl-(2-hydroxyphenyl)methanediol
SMILESNSC(O)(O)c1ccccc1O
InChIInChI=1S/C7H9NO3S/c8-12-7(10,11)5-3-1-2-4-6(5)9/h1-4,9-11H,8H2
InChIKeyFGOUVFALEOPXJL-UHFFFAOYSA-N
MW187.22 g/mol
LogP0.09
Rot. Bonds2

About aminosulfanyl-(2-hydroxyphenyl)methanediol

aminosulfanyl-(2-hydroxyphenyl)methanediol (PubChem CID 154431600) has the molecular formula C7H9NO3S and a molecular weight of 187.22 g/mol. Its IUPAC name is aminosulfanyl-(2-hydroxyphenyl)methanediol.

Molecular Properties

Compound Nameaminosulfanyl-(2-hydroxyphenyl)methanediol
PubChem CID154431600
Molecular FormulaC7H9NO3S
Molecular Weight187.22 g/mol
Exact Mass187.03
IUPAC Nameaminosulfanyl-(2-hydroxyphenyl)methanediol
SMILESNSC(O)(O)c1ccccc1O
InChIInChI=1S/C7H9NO3S/c8-12-7(10,11)5-3-1-2-4-6(5)9/h1-4,9-11H,8H2
InChIKeyFGOUVFALEOPXJL-UHFFFAOYSA-N
XLogP0.09
TPSA86.71 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 50.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-hydroxybut-3-en-2-yl)phenol
CID 13380598
2-(trifluoromethyl)phenol
CID 162212145
CID 172777673
CID 172777673
2-[2-(2-hydroxyphenyl)propan-2-yl]phenol;hydrate
CID 162321834
2-(1,3-dichloro-1,1,3,3-tetrafluoro-2-hydroxypropan-2-yl)phenol
CID 154117039
potassium;2-tert-butylphenol;hydride
CID 174648142
2-[chloro(difluoro)methyl]phenol
CID 19981781
ethane;2-(trifluoromethyl)phenol
CID 142291947
2-[1-[1,1-bis(2-hydroxyphenyl)prop-2-enoxy]-1-(2-hydroxyphenyl)prop-2-enyl]phenol
CID 66963467
CID 175980360
CID 175980360
tetrakis(2-tert-butylphenol);phosphorous acid
CID 175312297
2-tert-butylphenol;N-methylmethanamine
CID 161387965

Frequently Asked Questions

What is the IUPAC name of aminosulfanyl-(2-hydroxyphenyl)methanediol?
The IUPAC name of aminosulfanyl-(2-hydroxyphenyl)methanediol (CID 154431600) is aminosulfanyl-(2-hydroxyphenyl)methanediol.
What is the SMILES notation for aminosulfanyl-(2-hydroxyphenyl)methanediol?
The canonical SMILES for aminosulfanyl-(2-hydroxyphenyl)methanediol is NSC(O)(O)c1ccccc1O.
What is the InChIKey of aminosulfanyl-(2-hydroxyphenyl)methanediol?
The InChIKey is FGOUVFALEOPXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3S/c8-12-7(10,11)5-3-1-2-4-6(5)9/h1-4,9-11H,8H2.
What are the key properties of aminosulfanyl-(2-hydroxyphenyl)methanediol?
aminosulfanyl-(2-hydroxyphenyl)methanediol has a molecular weight of 187.22 g/mol, XLogP of 0.09, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for aminosulfanyl-(2-hydroxyphenyl)methanediol is sourced from PubChem (CID 154431600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).