[4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-methylphenyl]methanol

C12H14N4OS — CID 63814749

IUPAC[4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-methylphenyl]methanol
SMILESCc1cc(Sc2nnnn2C2CC2)ccc1CO
InChIInChI=1S/C12H14N4OS/c1-8-6-11(5-2-9(8)7-17)18-12-13-14-15-16(12)10-3-4-10/h2,5-6,10,17H,3-4,7H2,1H3
InChIKeyUTRZBYHXIDCUSI-UHFFFAOYSA-N
MW262.34 g/mol
LogP1.96
Rot. Bonds4

About [4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-methylphenyl]methanol

[4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-methylphenyl]methanol (PubChem CID 63814749) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is [4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-methylphenyl]methanol.

Molecular Properties

Compound Name[4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-methylphenyl]methanol
PubChem CID63814749
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC Name[4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-methylphenyl]methanol
SMILESCc1cc(Sc2nnnn2C2CC2)ccc1CO
InChIInChI=1S/C12H14N4OS/c1-8-6-11(5-2-9(8)7-17)18-12-13-14-15-16(12)10-3-4-10/h2,5-6,10,17H,3-4,7H2,1H3
InChIKeyUTRZBYHXIDCUSI-UHFFFAOYSA-N
XLogP1.96
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-methylphenyl]methyl]propan-2-amine
CID 63805114
N-[[4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-methylphenyl]methyl]propan-1-amine
CID 63805118
4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-methylbenzonitrile
CID 81282782
5-(1-cyclopentyltetrazol-5-yl)sulfanyl-2-methylaniline
CID 55132300
[4-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]methanamine
CID 43528934
2-chloro-4-(1-cyclopropyltetrazol-5-yl)sulfanylbenzoic acid
CID 55153568
4-(1-cyclopropyltetrazol-5-yl)sulfanylbenzaldehyde
CID 55240671
2-[6-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-methyl-3-pyridinyl]ethanamine
CID 80651706
[2-methyl-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]methanol
CID 104604395
1-cyclopropyl-5-(3-ethoxy-4-nitrophenyl)sulfanyltetrazole
CID 133426657
1-[4-bromo-2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]propan-2-amine
CID 63818433
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-methylbenzoic acid
CID 55105953

Frequently Asked Questions

What is the IUPAC name of [4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-methylphenyl]methanol?
The IUPAC name of [4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-methylphenyl]methanol (CID 63814749) is [4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-methylphenyl]methanol.
What is the SMILES notation for [4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-methylphenyl]methanol?
The canonical SMILES for [4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-methylphenyl]methanol is Cc1cc(Sc2nnnn2C2CC2)ccc1CO.
What is the InChIKey of [4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-methylphenyl]methanol?
The InChIKey is UTRZBYHXIDCUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c1-8-6-11(5-2-9(8)7-17)18-12-13-14-15-16(12)10-3-4-10/h2,5-6,10,17H,3-4,7H2,1H3.
What are the key properties of [4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-methylphenyl]methanol?
[4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-methylphenyl]methanol has a molecular weight of 262.34 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-methylphenyl]methanol is sourced from PubChem (CID 63814749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).