(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl-triphenylstannane

C21H18N2S2Sn — CID 71427059

IUPAC(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl-triphenylstannane
SMILESCc1nnc(S[Sn](c2ccccc2)(c2ccccc2)c2ccccc2)s1
InChIInChI=1S/3C6H5.C3H4N2S2.Sn/c3*1-2-4-6-5-3-1;1-2-4-5-3(6)7-2;/h3*1-5H;1H3,(H,5,6);/q;;;;+1/p-1
InChIKeyDCMVUCLJAMNSSV-UHFFFAOYSA-M
MW481.23 g/mol
LogP3.61
Rot. Bonds5

About (5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl-triphenylstannane

(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl-triphenylstannane (PubChem CID 71427059) has the molecular formula C21H18N2S2Sn and a molecular weight of 481.23 g/mol. Its IUPAC name is (5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl-triphenylstannane.

Molecular Properties

Compound Name(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl-triphenylstannane
PubChem CID71427059
Molecular FormulaC21H18N2S2Sn
Molecular Weight481.23 g/mol
Exact Mass481.99
IUPAC Name(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl-triphenylstannane
SMILESCc1nnc(S[Sn](c2ccccc2)(c2ccccc2)c2ccccc2)s1
InChIInChI=1S/3C6H5.C3H4N2S2.Sn/c3*1-2-4-6-5-3-1;1-2-4-5-3(6)7-2;/h3*1-5H;1H3,(H,5,6);/q;;;;+1/p-1
InChIKeyDCMVUCLJAMNSSV-UHFFFAOYSA-M
XLogP3.61
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.23
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl-triphenylstannane?
The IUPAC name of (5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl-triphenylstannane (CID 71427059) is (5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl-triphenylstannane.
What is the SMILES notation for (5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl-triphenylstannane?
The canonical SMILES for (5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl-triphenylstannane is Cc1nnc(S[Sn](c2ccccc2)(c2ccccc2)c2ccccc2)s1.
What is the InChIKey of (5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl-triphenylstannane?
The InChIKey is DCMVUCLJAMNSSV-UHFFFAOYSA-M. The full InChI is InChI=1S/3C6H5.C3H4N2S2.Sn/c3*1-2-4-6-5-3-1;1-2-4-5-3(6)7-2;/h3*1-5H;1H3,(H,5,6);/q;;;;+1/p-1.
What are the key properties of (5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl-triphenylstannane?
(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl-triphenylstannane has a molecular weight of 481.23 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl-triphenylstannane is sourced from PubChem (CID 71427059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).