Ketcher 05052214242D 1   1.00000     0.00000     0

  5  4  0     0  0            999 V2000
    9.6859  -19.8232    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4179  -19.8232    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5519  -19.3232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2840  -19.3232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5519  -18.3232    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0     0  0
  3  2  1  0     0  0
  2  4  1  0     0  0
  3  5  2  0     0  0
M  END
> <ID>
CHEBI:188347

> <NAME>
N-methylthiourea

> <DEFINITION>
A member of the class of thioureas that is thiourea in which one of the hydrogens is replaced by a methyl group.

> <STAR>
3

> <SYNONYM>
N-methylthiourea; N-methylthiocarbamide; N-methyl-2-thiourea; monomethylthiourea; methylthiourea; methylthiocarbamide; methyl-2-thiourea; methyl thiourea; 1-methylthiourea; 1-methylthiocarbamide; 1-methyl-2-thiourea

> <IUPAC_NAME>
N-methylthiourea

> <FORMULA>
C2H6N2S

> <MASS>
90.140

> <MONOISOTOPIC_MASS>
90.02517

> <CHARGE>
0

> <SMILES>
CNC(N)=S

> <INCHI>
InChI=1S/C2H6N2S/c1-4-2(3)5/h1H3,(H3,3,4,5)

> <INCHIKEY>
KQJQICVXLJTWQD-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
598-52-7

> <REAXYS_REGISTRY_NUMBER>
506162

> <CHEMIDPLUS>
598-52-7

> <NIST_CHEMISTRY_WEBBOOK>
598-52-7

> <PUBMED_CITATION>
10725113; 15997371; 16136239; 18464928; 23256569; 23264945; 23873066; 24312826; 24477281; 2568740; 3087930; 3087931; 31093638; 32326038; 33562907; 34788025; 3921689; 6810507

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