1-chloro-3-(1-phenyltetrazol-5-yl)sulfanylpropan-2-ol

C10H11ClN4OS — CID 15140296

IUPAC1-chloro-3-(1-phenyltetrazol-5-yl)sulfanylpropan-2-ol
SMILESOC(CCl)CSc1nnnn1-c1ccccc1
InChIInChI=1S/C10H11ClN4OS/c11-6-9(16)7-17-10-12-13-14-15(10)8-4-2-1-3-5-8/h1-5,9,16H,6-7H2
InChIKeyZZYJMYRLMXTUKJ-UHFFFAOYSA-N
MW270.75 g/mol
LogP1.35
Rot. Bonds5

About 1-chloro-3-(1-phenyltetrazol-5-yl)sulfanylpropan-2-ol

1-chloro-3-(1-phenyltetrazol-5-yl)sulfanylpropan-2-ol (PubChem CID 15140296) has the molecular formula C10H11ClN4OS and a molecular weight of 270.75 g/mol. Its IUPAC name is 1-chloro-3-(1-phenyltetrazol-5-yl)sulfanylpropan-2-ol.

Molecular Properties

Compound Name1-chloro-3-(1-phenyltetrazol-5-yl)sulfanylpropan-2-ol
PubChem CID15140296
Molecular FormulaC10H11ClN4OS
Molecular Weight270.75 g/mol
Exact Mass270.03
IUPAC Name1-chloro-3-(1-phenyltetrazol-5-yl)sulfanylpropan-2-ol
SMILESOC(CCl)CSc1nnnn1-c1ccccc1
InChIInChI=1S/C10H11ClN4OS/c11-6-9(16)7-17-10-12-13-14-15(10)8-4-2-1-3-5-8/h1-5,9,16H,6-7H2
InChIKeyZZYJMYRLMXTUKJ-UHFFFAOYSA-N
XLogP1.35
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.75
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(azepan-1-yl)-3-(1-phenyltetrazol-5-yl)sulfanylpropan-2-ol
CID 70682154
2-methyl-3-(1-phenyltetrazol-5-yl)sulfanylpropanoic acid
CID 43538118
3,3-dimethyl-1-(1-phenyltetrazol-5-yl)sulfanylbutan-2-amine
CID 64648593
2-[1-(1-phenyltetrazol-5-yl)sulfanylpropan-2-yl]pyridine
CID 123935280
dimethyl-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]azanium
CID 4064141
2-(1-phenyltetrazol-5-yl)sulfanyl-N-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]acetamide
CID 17325155
S-(1-phenyltetrazol-5-yl) 2-(1-phenyltetrazol-5-yl)sulfanylethanethioate
CID 3359421
4-(1-phenyltetrazol-5-yl)sulfanylbut-2-yn-1-ol
CID 15944365
2-ethoxy-3-(1-phenyltetrazol-5-yl)sulfanylpropan-1-amine
CID 63071022
1-phenoxy-3-[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]sulfanylpropan-2-ol
CID 51057207
4-[5-[(2R)-2-hydroxypropyl]sulfanyltetrazol-1-yl]phenol
CID 106933316
5-heptylsulfanyl-1-phenyltetrazole
CID 141458526

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(1-phenyltetrazol-5-yl)sulfanylpropan-2-ol?
The IUPAC name of 1-chloro-3-(1-phenyltetrazol-5-yl)sulfanylpropan-2-ol (CID 15140296) is 1-chloro-3-(1-phenyltetrazol-5-yl)sulfanylpropan-2-ol.
What is the SMILES notation for 1-chloro-3-(1-phenyltetrazol-5-yl)sulfanylpropan-2-ol?
The canonical SMILES for 1-chloro-3-(1-phenyltetrazol-5-yl)sulfanylpropan-2-ol is OC(CCl)CSc1nnnn1-c1ccccc1.
What is the InChIKey of 1-chloro-3-(1-phenyltetrazol-5-yl)sulfanylpropan-2-ol?
The InChIKey is ZZYJMYRLMXTUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4OS/c11-6-9(16)7-17-10-12-13-14-15(10)8-4-2-1-3-5-8/h1-5,9,16H,6-7H2.
What are the key properties of 1-chloro-3-(1-phenyltetrazol-5-yl)sulfanylpropan-2-ol?
1-chloro-3-(1-phenyltetrazol-5-yl)sulfanylpropan-2-ol has a molecular weight of 270.75 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(1-phenyltetrazol-5-yl)sulfanylpropan-2-ol is sourced from PubChem (CID 15140296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).