N-Carbomethoxy-S-methylisothiourea - CAS 39259-32-0
Catalog: |
BB070625 |
Product Name: |
N-Carbomethoxy-S-methylisothiourea |
CAS: |
39259-32-0 |
Synonyms: |
Methyl N-(1-Amino-1-methylthiolmethylene)carbamate; N-Methoxycarbonyl-S-methylisothiourea; NSC 160239; [Imino(methylthio)methyl]-carbamic Acid Methyl Ester; S-Methyl-N-methoxycarbonylisothiourea |
IUPAC Name: | methyl (NE)-N-[amino(methylsulfanyl)methylidene]carbamate |
Description: | N-Carbomethoxy-S-methylisothiourea is an intermediate used in the synthesis of Methyl 5-Hydroxy-2-benzimidazolecarbamate (M312585), which is a derivative of Carbendazim (C175900), a fungicide and an impurity of Albendazole. |
Molecular Weight: | 148.18 |
Molecular Formula: | C4H8N2O2S |
Canonical SMILES: | COC(=O)N=C(N)SC |
InChI: | InChI=1S/C4H8N2O2S/c1-8-4(7)6-3(5)9-2/h1-2H3,(H2,5,6,7) |
InChI Key: | MMBDAJMDNVQFDV-UHFFFAOYSA-N |
Solubility: | Chloroform |
Appearance: | Pale pink solid |
Storage: | 4°C |
References: | Zeng, Z., et al. J. Agric. Food Chem., 44, 3374 (1996), Lewis, D., et al. Xenobiotica, 28, 235 (1998), Hodgson, E., et al. J. Biochem. Mol. Toxicol., 21, 182 (2007),. |
Complexity: | 135 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 148.03064868 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 148.03064868 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 90Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
-
Catalog: BB069924
((2S,4S)-2-(Chloromethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methyl 4-Methylbenzenesulfonate
Detail
-
Catalog: BB064244
((2S,3R)-4-(4-(((((3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl)oxy)carbonyl)amino)-N-isobutylphenylsulfonamido)-3-hydroxy-1-phenylbutan-2-yl)carbamic Acid Phenylmethyl Ester
Detail
-
Catalog: BB071775
((1R,4R)-4-(((tert-butyldimethylsilyl)oxy)methyl)cyclohexyl)methanol
Detail
-
Catalog: BB067784
((1R,2R)-2-(2,3-Dihydrobenzofuran-4-yl)cyclopropyl)methanamine
Detail
-
Catalog: BB075348
((2S,3S,4R,5R)-5-(4-Amino-2-oxopyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl dihydrogen phosphate, sodium salt
Detail
-
Catalog: BB074213
((2R,3S,4R,5R,6R)-5-Acetamido-3,4-dihydroxy-6-(2-(trimethylsilyl)ethoxy)tetrahydro-2H-pyran-2-yl)methyl 4-Methylbenzenesulfonate
Detail
-
Catalog: BB072640
((2R,3S,4R,5R)-5-(4-(Benzyloxy)-2-oxopyridin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl bis(2-cyanoethyl) Phosphate
Detail
-
Catalog: BB069927
((2R,4S)-2-(Chloromethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methyl 4-Methylbenzenesulfonate
Detail
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Other Building Blocks
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS