Completing data — usually done within a minute
Basic information
- Standard SMILES
CSC(=S)n1ccnc1- InChIKey
ZSKBYJIWBCCFMF-UHFFFAOYSA-N- Molecular formula
- C5H6N2S2
- Average molar mass
- 158.251 g/mol
- Monoisotopic mass
- 157.99724019
Names & identifiers
- Preferred name
- 1-(Methyldithiocarbonyl)imidazole
- IUPAC
- Methyl 1H-imidazole-1-carbodithioate
- English name
- 1-(METHYLDITHIOCARBONYL)IMIDAZOLE
- Molecular formula
- C5H6N2S2
- Molecular weight
- 158.24
Names & synonyms
Methyl 1H-iMidazole-1-carbodithioate1-(METHYLDITHIOCARBONYL)IMIDAZOLEmethyl imidazole-1-carbodithioate1-(Methyldithiocarbonyl)iMidazole 97%1H-IMIDAZOLE-1-CARBODITHIOIC ACID METHYL ESTER1H-Imidazole-1-carbodithioic acid methyl ester, GC 97%
Database identifiers
- CAS
74734-11-5- PubChem CID
- 11062662
- DTXSID
DTXSID40453753- ChEMBL
CHEMBL3086193- EC Number
- 627-768-5
- Nikkaji
- J914.210J
Properties
Physicochemical properties
- Melting point
- 29 · 29-33 °C
- Boiling point
- 285.4 · 285.4±23.0 °C(Predicted)
- Density
- 1.294 at · 1.294 at 25 °C
- refractive index
- 20 · n20/D 1.6741
- Flash point
- 110 °C · 110 °C
- storage temp.
- -20 °C · -20°C Freezer, Under inert atmosphere
- solubility
- Acetonitrile (Slightly), Chloroform (Slightly)
- form
- Oil
- pka
- 2.19 · 2.19±0.10(Predicted)
- color
- Yellow to Dark Yellow
- Stability
- Stable under recommended storage conditions., Stable Under Recommended Storage C
- InChI
- 1S/C5H6N2S2/c1-9-5(8)7-3-2-6-4-7/h2-4H,1H3
- InChIKey
- ZSKBYJIWBCCFMF-UHFFFAOYSA-N
- SMILES
- CSC(=S)n1ccnc1
- UNSPSC Code
- 12352005 · 12352005
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H315-H317-H318-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22-37/38-41-43
- Safety Statements
- 26 · 26-36/37/39
- WGK Germany
- 3 · 3
- HS Code
- 2933299090 · 2933299090
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
Safety & regulation
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- wgk
- 3
- hs_code
- 2933299090
- risk_code
- 22-37/38-41-43
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xn
- safety_code
- 26-36/37/39
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H302-H315-H317-H318-H335
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Applications
Uses1-(Methyldithiocarbonyl)imidazole is a thiocarbonyl transfer agent used in the synthesis of 3,5- and 1,3,5-substituted 2-thiohydantoins.
Upstream & downstream products
Downstream products
Suppliers16 total
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
Syntechem Co.,Ltd[email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
嘉兴市德亿化工有限公司86-0573-85866609 18367600069 · [email protected]
Accela ChemBio Inc.+1-858-6993322 +86-18019713315 · [email protected]
Nanjing Moldeep Biochemical Co., Ltd.+86-25-58282389 +86-17351037455 · [email protected]
Related reactions
0 records
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Linked notes
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