(2-methylthiolan-2-yl)-(1-methyltriazol-4-yl)methanol

C9H15N3OS — CID 130603752

IUPAC(2-methylthiolan-2-yl)-(1-methyltriazol-4-yl)methanol
SMILESCn1cc(C(O)C2(C)CCCS2)nn1
InChIInChI=1S/C9H15N3OS/c1-9(4-3-5-14-9)8(13)7-6-12(2)11-10-7/h6,8,13H,3-5H2,1-2H3
InChIKeyGYWGSHHXSNUWDV-UHFFFAOYSA-N
MW213.31 g/mol
LogP1.13
Rot. Bonds2

About (2-methylthiolan-2-yl)-(1-methyltriazol-4-yl)methanol

(2-methylthiolan-2-yl)-(1-methyltriazol-4-yl)methanol (PubChem CID 130603752) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is (2-methylthiolan-2-yl)-(1-methyltriazol-4-yl)methanol.

Molecular Properties

Compound Name(2-methylthiolan-2-yl)-(1-methyltriazol-4-yl)methanol
PubChem CID130603752
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name(2-methylthiolan-2-yl)-(1-methyltriazol-4-yl)methanol
SMILESCn1cc(C(O)C2(C)CCCS2)nn1
InChIInChI=1S/C9H15N3OS/c1-9(4-3-5-14-9)8(13)7-6-12(2)11-10-7/h6,8,13H,3-5H2,1-2H3
InChIKeyGYWGSHHXSNUWDV-UHFFFAOYSA-N
XLogP1.13
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-methylthiolan-2-yl)-(1-methyltriazol-4-yl)methanol?
The IUPAC name of (2-methylthiolan-2-yl)-(1-methyltriazol-4-yl)methanol (CID 130603752) is (2-methylthiolan-2-yl)-(1-methyltriazol-4-yl)methanol.
What is the SMILES notation for (2-methylthiolan-2-yl)-(1-methyltriazol-4-yl)methanol?
The canonical SMILES for (2-methylthiolan-2-yl)-(1-methyltriazol-4-yl)methanol is Cn1cc(C(O)C2(C)CCCS2)nn1.
What is the InChIKey of (2-methylthiolan-2-yl)-(1-methyltriazol-4-yl)methanol?
The InChIKey is GYWGSHHXSNUWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-9(4-3-5-14-9)8(13)7-6-12(2)11-10-7/h6,8,13H,3-5H2,1-2H3.
What are the key properties of (2-methylthiolan-2-yl)-(1-methyltriazol-4-yl)methanol?
(2-methylthiolan-2-yl)-(1-methyltriazol-4-yl)methanol has a molecular weight of 213.31 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylthiolan-2-yl)-(1-methyltriazol-4-yl)methanol is sourced from PubChem (CID 130603752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).