2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylethanol

C9H9ClN4OS — CID 17437726

IUPAC2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylethanol
SMILESOCCSc1nnnn1-c1cccc(Cl)c1
InChIInChI=1S/C9H9ClN4OS/c10-7-2-1-3-8(6-7)14-9(11-12-13-14)16-5-4-15/h1-3,6,15H,4-5H2
InChIKeyVSXOSSRBGHTPOE-UHFFFAOYSA-N
MW256.72 g/mol
LogP1.40
Rot. Bonds4

About 2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylethanol

2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylethanol (PubChem CID 17437726) has the molecular formula C9H9ClN4OS and a molecular weight of 256.72 g/mol. Its IUPAC name is 2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylethanol.

Molecular Properties

Compound Name2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylethanol
PubChem CID17437726
Molecular FormulaC9H9ClN4OS
Molecular Weight256.72 g/mol
Exact Mass256.02
IUPAC Name2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylethanol
SMILESOCCSc1nnnn1-c1cccc(Cl)c1
InChIInChI=1S/C9H9ClN4OS/c10-7-2-1-3-8(6-7)14-9(11-12-13-14)16-5-4-15/h1-3,6,15H,4-5H2
InChIKeyVSXOSSRBGHTPOE-UHFFFAOYSA-N
XLogP1.40
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.72
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylacetic acid
CID 1132797
1-(3-chlorophenyl)-5-[(2-chlorophenyl)methylsulfanyl]tetrazole
CID 833720
(2R)-3-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-2-methylpropanenitrile
CID 8860060
1-(3-chlorophenyl)-5-[(3-methylphenyl)methylsulfanyl]tetrazole
CID 8859943
2-[[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]pyridine
CID 18122497
2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-[(2R)-2-phenylpropyl]acetamide
CID 8859867
3-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(3-cyanothiophen-2-yl)propanamide
CID 8859584
2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(phenylcarbamoyl)acetamide
CID 9061735
2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-[(1S)-1-phenylethyl]acetamide
CID 8858207
5-[(5-chloro-2-methoxyphenyl)methylsulfanyl]-1-(3-chlorophenyl)tetrazole
CID 8861158
N-(3-chlorophenyl)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 7562846
2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-methylsulfanylphenyl)acetamide
CID 8858281

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylethanol?
The IUPAC name of 2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylethanol (CID 17437726) is 2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylethanol.
What is the SMILES notation for 2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylethanol?
The canonical SMILES for 2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylethanol is OCCSc1nnnn1-c1cccc(Cl)c1.
What is the InChIKey of 2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylethanol?
The InChIKey is VSXOSSRBGHTPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4OS/c10-7-2-1-3-8(6-7)14-9(11-12-13-14)16-5-4-15/h1-3,6,15H,4-5H2.
What are the key properties of 2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylethanol?
2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylethanol has a molecular weight of 256.72 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylethanol is sourced from PubChem (CID 17437726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).