Basic information
- CAS
18773-54-1- Standard SMILES
C#CCN(CC#C)S(=O)(=O)c1ccc(C)cc1- InChIKey
NNPRNGRENISUMK-UHFFFAOYSA-N- Molecular formula
- C13H13NO2S
- Average molar mass
- 247.31 g/mol
- Monoisotopic mass
- 247.06669983
Names & identifiers
- Preferred name
- 4-Methyl-N,N-diprop-2-yn-1-ylbenzenesulfonamide
- IUPAC
- 4-methyl-N,N-bis(prop-2-ynyl)benzenesulfonamide
- English name
- BenzenesulfonaMide, 4-Methyl-N,N-di-2-propyn-1-yl-
- Molecular formula
- C13H13NO2S
- Molecular weight
- 247.31
Names & synonyms
18773-54-1DTXSID303170574-Methyl-N,N-diprop-2-yn-1-ylbenzenesulfonamideRefChem:1071128DTXCID202681804-Methyl-N,N-di(prop-2-yn-1-yl)benzenesulfonamide4-methyl-N,N-bis(prop-2-ynyl)benzenesulfonamideN,N-Dipropargyl-p-toluenesulfonamideMFCD22575206BenzenesulfonaMide, 4-Methyl-N,N-di-2-propyn-1-yl-4-methyl-N,N-di-2-propyn-1-ylbenzenesulfonamideN,N-bis(2-propynyl)-(4-methylphenyl)sulfonamide
Show more names
4-Methyl-N,N-di(2-propynyl)benzenesulfonamideNSC310275N,N-DipropargyltosylamideSCHEMBL10822074-methyl-N,N-bis(prop-2-yn-1-yl)benzene-1-sulfonamideNNPRNGRENISUMK-UHFFFAOYSA-NAKOS027252936GS-6759
Database identifiers
- CAS
18773-54-1- PubChem CID
- 329147
- DTXSID
DTXSID30317057- Nikkaji
- J678.623E
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 417
Physicochemical properties
- Melting point
- 59 to · 59.0 to 63.0 °C
- Boiling point
- 368.9 · 368.9±52.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- solubility
- slightly sol. in Methanol
- form
- powder to crystal
- pka
- -10.91 · -10.91±0.70(Predicted)
- color
- White to Yellow to Orange
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
- HS Code
- 2935.9 · 2935.90.9500
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2935.90.9500
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Suppliers36 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
河南多贝化工有限公司0370-6999054 17550096163 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
湖南华腾制药有限公司400-8592883 15367835770 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
广东翁江化学试剂有限公司0751-2886766 13927870850 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海平果医药科技有限公司021-20432229 · [email protected]
山东小野化学股份有限公司0539-6362799 20）
上海贤鼎生物科技有限公司021-021-52271985 17721149837 · [email protected]
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
上海琼燕医药科技有限公司086-021-15821262312 15821262312 · [email protected]
武汉赢元贝商贸有限公司86-13349903920 13349903920 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386, 800-988-0390 · [email protected]
TCI Chemicals (India) Pvt. Ltd.[email protected]
Aladdin Scientific[email protected]
爆牛贸易重庆有限公司+86-023-6139-8061 +86-86-13650506873 · [email protected]
上海迈瑞尔生化科技有限公司18621169109 · [email protected]
SHANGHAI YOUNG-CHEM CHEMICAL CO., LTD.13817489192 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-15350571055 · [email protected]
广州科檬生物科技有限公司400-168-9330 15013243073 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
Related reactions
3 records
Compound notes
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