Basic information
- CAS
500-89-0- Standard SMILES
CCCCOc1ccc(NC(=S)Nc2ccc(N(C)C)cc2)cc1- InChIKey
JYCBKPOKWDDOOV-UHFFFAOYSA-N- Molecular formula
- C19H25N3OS
- Average molar mass
- 343.5 g/mol
- Monoisotopic mass
- 343.1718336
Overview
Thiambutosine is a small molecule drug. Thiambutosine has a monoisotopic molecular weight of 343.17 Da.
Names & identifiers
- Preferred name
- Thiambutosine
- IUPAC
- 1-(4-butoxyphenyl)-3-[4-(dimethylamino)phenyl]thiourea
- English name
- thiambutosine
- Molecular formula
- C19H25N3OS
- Molecular weight
- 343.49
Names & synonyms
Thiambutosine500-89-0Ciba 1906TiambutosinaThiambutosinumCIBA-1906NSC-6824-Butoxy-4'-(dimethylamino)thiocarbanilideX92J960C7P1-(4-Butoxyphenyl)-3-(4-dimethylaminophenyl)thioureaN-(4-Butoxyphenyl)-N'-[4-(dimethylamino)phenyl]thioureaDTXSID20198175
Show more names
SC682SC 682SC-682Aids081321Aids-081321Summit-1906thiambutosine USP/EP/BP
N-(4-Butoxyphenyl)-N'-(4-(dimethylamino)phenyl)thioureaSU-1906RefChem:932941DTXCID50120666207-914-0ThiambutosinSummit 1906SU 1906
Database identifiers
- CAS
500-89-0- PubChem CID
- 3002003
- DTXSID
DTXSID20198175- ChEMBL
CHEMBL2107052- UNII
- X92J960C7P
- EC Number
- 207-914-0
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 68.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 362
Physicochemical properties
- Melting point
- 119 · 119-121 °C
- Boiling point
- 478.9 · 478.9±55.0 °C(Predicted)
- Density
- 1.187 · 1.187±0.06 g/cm3(Predicted)
- pka
- 12.96 · 12.96±0.70(Predicted)
- form
- Solid
- color
- White to off-white
- FDA UNII
- 92 J960C7P · X92J960C7P
Chemistry & industry
Applications
UsesThiambutosine is an inhibitor of Mycobacterium leprae with low oral activity. In animal experiments, Thiambutosine can inhibit leprosy infection by intramuscular injection[1][2].
Suppliers28 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
InvivoChem中国13549236410 · [email protected]
上海瀚香生物科技有限公司177-54423994 17754423994 · [email protected]
上海敏寒医药科技有限公司17612188245 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
南通市苏北化工原料有限公司0513-85290972 18762756250 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
上海芮晖化工科技有限公司021-31433387 15618786686 · [email protected]
上海超岚化工科技中心QQ：65489617 13301690235 · [email protected]
南京凯姆铂医药科技有限公司025-66162170
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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