(2R)-1-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol

C6H10N2OS3 — CID 106933430

IUPAC(2R)-1-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol
SMILESCSc1nnc(SC[C@@H](C)O)s1
InChIInChI=1S/C6H10N2OS3/c1-4(9)3-11-6-8-7-5(10-2)12-6/h4,9H,3H2,1-2H3/t4-/m1/s1
InChIKeyFSEAHZDMNIXCEX-SCSAIBSYSA-N
MW222.36 g/mol
LogP1.73
Rot. Bonds4

About (2R)-1-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol

(2R)-1-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol (PubChem CID 106933430) has the molecular formula C6H10N2OS3 and a molecular weight of 222.36 g/mol. Its IUPAC name is (2R)-1-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol
PubChem CID106933430
Molecular FormulaC6H10N2OS3
Molecular Weight222.36 g/mol
Exact Mass222.00
IUPAC Name(2R)-1-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol
SMILESCSc1nnc(SC[C@@H](C)O)s1
InChIInChI=1S/C6H10N2OS3/c1-4(9)3-11-6-8-7-5(10-2)12-6/h4,9H,3H2,1-2H3/t4-/m1/s1
InChIKeyFSEAHZDMNIXCEX-SCSAIBSYSA-N
XLogP1.73
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol?
The IUPAC name of (2R)-1-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol (CID 106933430) is (2R)-1-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol.
What is the SMILES notation for (2R)-1-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol?
The canonical SMILES for (2R)-1-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol is CSc1nnc(SC[C@@H](C)O)s1.
What is the InChIKey of (2R)-1-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol?
The InChIKey is FSEAHZDMNIXCEX-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H10N2OS3/c1-4(9)3-11-6-8-7-5(10-2)12-6/h4,9H,3H2,1-2H3/t4-/m1/s1.
What are the key properties of (2R)-1-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol?
(2R)-1-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol has a molecular weight of 222.36 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol is sourced from PubChem (CID 106933430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).