(2-chlorothiophen-3-yl)-(2H-triazol-4-yl)methanol

C7H6ClN3OS — CID 130698412

IUPAC(2-chlorothiophen-3-yl)-(2H-triazol-4-yl)methanol
SMILESOC(c1cn[nH]n1)c1ccsc1Cl
InChIInChI=1S/C7H6ClN3OS/c8-7-4(1-2-13-7)6(12)5-3-9-11-10-5/h1-3,6,12H,(H,9,10,11)
InChIKeyHOYBESHSYBQVHD-UHFFFAOYSA-N
MW215.67 g/mol
LogP1.60
Rot. Bonds2

About (2-chlorothiophen-3-yl)-(2H-triazol-4-yl)methanol

(2-chlorothiophen-3-yl)-(2H-triazol-4-yl)methanol (PubChem CID 130698412) has the molecular formula C7H6ClN3OS and a molecular weight of 215.67 g/mol. Its IUPAC name is (2-chlorothiophen-3-yl)-(2H-triazol-4-yl)methanol.

Molecular Properties

Compound Name(2-chlorothiophen-3-yl)-(2H-triazol-4-yl)methanol
PubChem CID130698412
Molecular FormulaC7H6ClN3OS
Molecular Weight215.67 g/mol
Exact Mass214.99
IUPAC Name(2-chlorothiophen-3-yl)-(2H-triazol-4-yl)methanol
SMILESOC(c1cn[nH]n1)c1ccsc1Cl
InChIInChI=1S/C7H6ClN3OS/c8-7-4(1-2-13-7)6(12)5-3-9-11-10-5/h1-3,6,12H,(H,9,10,11)
InChIKeyHOYBESHSYBQVHD-UHFFFAOYSA-N
XLogP1.60
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.67
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methylthiophen-2-yl)-(2H-triazol-4-yl)methanol
CID 80494600
(5-methylthiophen-3-yl)-(2H-triazol-4-yl)methanol
CID 80494626
(4-bromothiophen-3-yl)-(2H-triazol-4-yl)methanol
CID 80494632
2-thiophen-3-yl-1-(2H-triazol-4-yl)ethanol
CID 80494782
thiophen-3-yl(2H-triazol-4-yl)methanol
CID 80494810
3-thiophen-3-yl-1-(2H-triazol-4-yl)propan-1-ol
CID 80494843
thiophen-2-yl(2H-triazol-4-yl)methanol
CID 80494902
(5-chlorothiophen-2-yl)-(2H-triazol-4-yl)methanol
CID 80494968
(2-methylthiophen-3-yl)-(2H-triazol-4-yl)methanol
CID 102831489
(3-chlorothiophen-2-yl)-(2H-triazol-4-yl)methanol
CID 107359592
(2,5-Dichlorothiophen-3-yl)-(3-propyltriazol-4-yl)methanol
CID 107969884
(2,5-Dichlorothiophen-3-yl)-(3-methyltriazol-4-yl)methanol
CID 107969906

Frequently Asked Questions

What is the IUPAC name of (2-chlorothiophen-3-yl)-(2H-triazol-4-yl)methanol?
The IUPAC name of (2-chlorothiophen-3-yl)-(2H-triazol-4-yl)methanol (CID 130698412) is (2-chlorothiophen-3-yl)-(2H-triazol-4-yl)methanol.
What is the SMILES notation for (2-chlorothiophen-3-yl)-(2H-triazol-4-yl)methanol?
The canonical SMILES for (2-chlorothiophen-3-yl)-(2H-triazol-4-yl)methanol is OC(c1cn[nH]n1)c1ccsc1Cl.
What is the InChIKey of (2-chlorothiophen-3-yl)-(2H-triazol-4-yl)methanol?
The InChIKey is HOYBESHSYBQVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN3OS/c8-7-4(1-2-13-7)6(12)5-3-9-11-10-5/h1-3,6,12H,(H,9,10,11).
What are the key properties of (2-chlorothiophen-3-yl)-(2H-triazol-4-yl)methanol?
(2-chlorothiophen-3-yl)-(2H-triazol-4-yl)methanol has a molecular weight of 215.67 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorothiophen-3-yl)-(2H-triazol-4-yl)methanol is sourced from PubChem (CID 130698412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).