5-({[4-(propan-2-yl)phenyl]methyl}sulfanyl)-1,3,4-thiadiazole-2-thiol
Structure Info
- Chemspace ID
- CSSB00000689700 (In-Stock Building Blocks)
- CAS
- 790681-66-2
- MFCD
- MFCD06358651
- IUPAC Name
- 5-({[4-(propan-2-yl)phenyl]methyl}sulfanyl)-1,3,4-thiadiazole-2-thiol
- Mol formula
- C12H14N2S3
- Mol weight
- 282 Da
- Catalog Number(s)
- AG019NLA, BD00985350, CS-0356099, CSC000689700, EN300-11091, HY-W311305, LN04668567, PB57111402, ST019P22, TX019OQY, Y3582334, Z57033934
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- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 4.7
- Heavy atoms count
- 17
- Rotatable bond count
- 4
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.333
- Polar surface area (Å)
- 26
- Hydrogen bond acceptors count
- 2
- Hydrogen bond donors count
- 1
![Chemical structure of 5-({[4-(propan-2-yl)phenyl]methyl}sulfanyl)-1,3,4-thiadiazole-2-thiol (C12H14N2S3) - CSSB00000689700](/st/structure/200/461adbe740dd2f4bf50d87f17c67e7f3/CC%2528C%2529C1%253DCC%253DC%2528CSC2%253DNN%253DC%2528S%2529S2%2529C%253DC1.png "C12H14N2S3")
- Zoom the structure
- CSSB00000689700
Items Overall 6 items from 1 supplier
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| Enamine Ltd. | 5 days | Ukraine To: | 95 | 50 mg | 42.00 | |
| Enamine Ltd. | 5 days | Ukraine To: | 95 | 100 mg | 66.00 | |
| Enamine Ltd. | 5 days | Ukraine To: | 95 | 250 mg | 92.00 | |
| Enamine Ltd. | 5 days | Ukraine To: | 95 | 500 mg | 175.00 | |
| Enamine Ltd. | 5 days | Ukraine To: | 95 | 1 g | 256.00 | |
| Enamine Ltd. | 5 days | Ukraine To: | 95 | 2.5 g | 503.00 |
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Substructure Analogs
![Chemical structure of 2-{[(4-tert-butylphenyl)methyl]sulfanyl}-5-{[(3-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazole - CSSB00000048016](/st/structure/200/2e3738c7374835713195a9510e9cc935/CC%2528C%2529%2528C%2529C1%253DCC%253DC%2528CSC2%253DNN%253DC%2528SCC3%253DCC%253DCC%2528Cl%2529%253DC3%2529S2%2529C%253DC1.png)
Similarity Analogs
![Chemical structure of 5-{[(4-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazole-2-thiol - CSSB00000010816](/st/structure/200/e4ebc4911fa5fae75ca0594b607a9d19/FC1%253DCC%253DC%2528CSC2%253DNN%253DC%2528S%2529S2%2529C%253DC1.png)
![Chemical structure of 5-{[(4-methoxyphenyl)methyl]sulfanyl}-1,3,4-thiadiazole-2-thiol - CSSB00000010929](/st/structure/200/a7dcc5d248b044c2d7d514fbf49cc40b/COC1%253DCC%253DC%2528CSC2%253DNN%253DC%2528S%2529S2%2529C%253DC1.png)
![Chemical structure of 5-{[(4-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazole-2-thiol - CSSB00000010567](/st/structure/200/1c4f4f584fbc5c847885c9e3ab3ef38e/SC1%253DNN%253DC%2528SCC2%253DCC%253DC%2528Cl%2529C%253DC2%2529S1.png)
![Chemical structure of 5-{[(2,6-dichlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazole-2-thiol - CSSB00000010897](/st/structure/200/f744cdebfc4ae9219954ecdb374bdf9d/SC1%253DNN%253DC%2528SCC2%253DC%2528Cl%2529C%253DCC%253DC2Cl%2529S1.png)
![Chemical structure of 5-{[(3-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazole-2-thiol - CSSB00010005775](/st/structure/200/0f2de5a090ef23f7278f4fafdb387eb0/SC1%253DNN%253DC%2528SCC2%253DCC%253DCC%2528Cl%2529%253DC2%2529S1.png)
![Chemical structure of chloro({[4-(propan-2-yl)phenyl]methyl}sulfanyl)methanone - CSSB21432531200](/st/structure/200/5a89bb5725c655ade687a13a704e3df1/CC%2528C%2529C1%253DCC%253DC%2528CSC%2528Cl%2529%253DO%2529C%253DC1.png)
