3-(2-amino-4,5-dichlorophenyl)sulfanylbutan-2-ol

C10H13Cl2NOS — CID 107770294

IUPAC3-(2-amino-4,5-dichlorophenyl)sulfanylbutan-2-ol
SMILESCC(O)C(C)Sc1cc(Cl)c(Cl)cc1N
InChIInChI=1S/C10H13Cl2NOS/c1-5(14)6(2)15-10-4-8(12)7(11)3-9(10)13/h3-6,14H,13H2,1-2H3
InChIKeyYNVNVBIJNFSKNT-UHFFFAOYSA-N
MW266.19 g/mol
LogP3.44
Rot. Bonds3

About 3-(2-amino-4,5-dichlorophenyl)sulfanylbutan-2-ol

3-(2-amino-4,5-dichlorophenyl)sulfanylbutan-2-ol (PubChem CID 107770294) has the molecular formula C10H13Cl2NOS and a molecular weight of 266.19 g/mol. Its IUPAC name is 3-(2-amino-4,5-dichlorophenyl)sulfanylbutan-2-ol.

Molecular Properties

Compound Name3-(2-amino-4,5-dichlorophenyl)sulfanylbutan-2-ol
PubChem CID107770294
Molecular FormulaC10H13Cl2NOS
Molecular Weight266.19 g/mol
Exact Mass265.01
IUPAC Name3-(2-amino-4,5-dichlorophenyl)sulfanylbutan-2-ol
SMILESCC(O)C(C)Sc1cc(Cl)c(Cl)cc1N
InChIInChI=1S/C10H13Cl2NOS/c1-5(14)6(2)15-10-4-8(12)7(11)3-9(10)13/h3-6,14H,13H2,1-2H3
InChIKeyYNVNVBIJNFSKNT-UHFFFAOYSA-N
XLogP3.44
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.19
LogP ≤ 53.44
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

3-[4-(aminomethyl)-2-chlorophenyl]sulfanylbutan-2-ol
CID 107772258
3-[(3-amino-5-chloro-2-pyridinyl)sulfanyl]butan-2-ol
CID 107770313
3-[2-chloro-4-(1-hydroxyethyl)phenyl]sulfanylbutan-2-ol
CID 107772304
3-[2-chloro-4-(hydroxymethyl)phenyl]sulfanylbutan-2-ol
CID 107772358
2-chloro-6-(3-hydroxybutan-2-ylsulfanyl)benzonitrile
CID 107770602
2-chloro-6-(3-hydroxybutan-2-ylsulfanyl)benzaldehyde
CID 107772138
(1S,2R)-1-amino-1-(4-amino-2-chloro-5-methylphenyl)propan-2-ol
CID 131033842
3-(2,6-diaminopyrimidin-4-yl)sulfanylbutan-2-ol
CID 107772733
(1R,2R)-1-amino-1-(2-amino-5-bromo-4-chlorophenyl)propan-2-ol
CID 130649240
5-bromo-2-chloro-4-propan-2-ylsulfanylaniline
CID 130698423
3-amino-4-(3-hydroxybutan-2-ylsulfanyl)-1H-pyridin-2-one
CID 164644753
3-[4-[(1R)-1-aminoethyl]-2-fluorophenyl]sulfanylbutan-2-ol
CID 107770830

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-4,5-dichlorophenyl)sulfanylbutan-2-ol?
The IUPAC name of 3-(2-amino-4,5-dichlorophenyl)sulfanylbutan-2-ol (CID 107770294) is 3-(2-amino-4,5-dichlorophenyl)sulfanylbutan-2-ol.
What is the SMILES notation for 3-(2-amino-4,5-dichlorophenyl)sulfanylbutan-2-ol?
The canonical SMILES for 3-(2-amino-4,5-dichlorophenyl)sulfanylbutan-2-ol is CC(O)C(C)Sc1cc(Cl)c(Cl)cc1N.
What is the InChIKey of 3-(2-amino-4,5-dichlorophenyl)sulfanylbutan-2-ol?
The InChIKey is YNVNVBIJNFSKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2NOS/c1-5(14)6(2)15-10-4-8(12)7(11)3-9(10)13/h3-6,14H,13H2,1-2H3.
What are the key properties of 3-(2-amino-4,5-dichlorophenyl)sulfanylbutan-2-ol?
3-(2-amino-4,5-dichlorophenyl)sulfanylbutan-2-ol has a molecular weight of 266.19 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-4,5-dichlorophenyl)sulfanylbutan-2-ol is sourced from PubChem (CID 107770294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).