3-[3-(dimethylamino)thiophen-2-yl]sulfanylphenol

C12H13NOS2 — CID 21155169

IUPAC3-[3-(dimethylamino)thiophen-2-yl]sulfanylphenol
SMILESCN(C)c1ccsc1Sc1cccc(O)c1
InChIInChI=1S/C12H13NOS2/c1-13(2)11-6-7-15-12(11)16-10-5-3-4-9(14)8-10/h3-8,14H,1-2H3
InChIKeyWETHGVZCWZIPOV-UHFFFAOYSA-N
MW251.38 g/mol
LogP3.67
Rot. Bonds3

About 3-[3-(dimethylamino)thiophen-2-yl]sulfanylphenol

3-[3-(dimethylamino)thiophen-2-yl]sulfanylphenol (PubChem CID 21155169) has the molecular formula C12H13NOS2 and a molecular weight of 251.38 g/mol. Its IUPAC name is 3-[3-(dimethylamino)thiophen-2-yl]sulfanylphenol.

Molecular Properties

Compound Name3-[3-(dimethylamino)thiophen-2-yl]sulfanylphenol
PubChem CID21155169
Molecular FormulaC12H13NOS2
Molecular Weight251.38 g/mol
Exact Mass251.04
IUPAC Name3-[3-(dimethylamino)thiophen-2-yl]sulfanylphenol
SMILESCN(C)c1ccsc1Sc1cccc(O)c1
InChIInChI=1S/C12H13NOS2/c1-13(2)11-6-7-15-12(11)16-10-5-3-4-9(14)8-10/h3-8,14H,1-2H3
InChIKeyWETHGVZCWZIPOV-UHFFFAOYSA-N
XLogP3.67
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(dimethylamino)phenyl]methylsulfanyl]phenol
CID 146132640
3-(4-methylphenyl)sulfanylphenol
CID 20780501
bis(3-methylsulfanylphenol);zirconium
CID 174409712
3-(4-dodecylphenyl)sulfanylphenol
CID 19594225
3-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfanyl]phenol
CID 104591016
3-(dimethylamino)phenol;ethane
CID 174543999
3-(3-dimethoxyphosphinothioyloxyphenyl)sulfanylphenol
CID 164684283
3-[(5,6-dimethyl-1,2,4-triazin-3-yl)sulfanyl]phenol
CID 114448832
3-naphthalen-1-ylsulfanylphenol
CID 126704011
3-[(4-hydroxyphenyl)disulfanyl]phenol
CID 162512024
methanamine;3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanyl)phenol
CID 170707186
4-(3-hydroxyphenyl)sulfanyl-2-methylbenzonitrile
CID 104590967

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)thiophen-2-yl]sulfanylphenol?
The IUPAC name of 3-[3-(dimethylamino)thiophen-2-yl]sulfanylphenol (CID 21155169) is 3-[3-(dimethylamino)thiophen-2-yl]sulfanylphenol.
What is the SMILES notation for 3-[3-(dimethylamino)thiophen-2-yl]sulfanylphenol?
The canonical SMILES for 3-[3-(dimethylamino)thiophen-2-yl]sulfanylphenol is CN(C)c1ccsc1Sc1cccc(O)c1.
What is the InChIKey of 3-[3-(dimethylamino)thiophen-2-yl]sulfanylphenol?
The InChIKey is WETHGVZCWZIPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NOS2/c1-13(2)11-6-7-15-12(11)16-10-5-3-4-9(14)8-10/h3-8,14H,1-2H3.
What are the key properties of 3-[3-(dimethylamino)thiophen-2-yl]sulfanylphenol?
3-[3-(dimethylamino)thiophen-2-yl]sulfanylphenol has a molecular weight of 251.38 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)thiophen-2-yl]sulfanylphenol is sourced from PubChem (CID 21155169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).