4-Chloro-2-Methyl-5,6,7,8-Tetrahydro[1]Benzothieno[2,3-D]Pyrimidine

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Properties Simple | Detailed

Formula C11H11ClN2S
IUPAC Name 4-chloro-2-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidine
Molecular Mass 238.736 g·mol−1
Heat of Formation 98.2 ± 16.7 kJ·mol−1
Dipole Moment 2.62 ± 1.08 D
Volume 258.68 Å 3
Surface Area 239.84 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy -1.07 ± eV
Point Group Symmetry C1
Synonyms
  • 4-chloro-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[3,2-e]pyrimidine
  • 4-chloro-2-methyl-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidine
  • 4-chloro-2-methyl-5,6,7,8-tetrahydrobenzothiopheno[3,2-e]pyrimidine
  • bas 00569843
CAS Number(s)
  • 81765-97-1
InChIKey VBBUCJFANWYVMU-UHFFFAOYSA-N
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Elements H S N C Cl