AC1LFWI5

2-ethylsulfanyl-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

Also Known As: Oprea1_196436|Oprea1_692742|BAS 00920048|3-allyl-2-(ethylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one|F0796-0070|2-ethylsulfanyl-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one|5-(ethylsulfanyl)-4-(prop-2-en-1-yl)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one|2-ethylthio-3-prop-2-enyl-3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidi n-4-one|3-allyl-2-ethylsulfanyl-5,6,7,8-tetrahydro-3H-benzo[4,5]thieno[2,3-d]pyrimidin-4-one|2-(ethylsulfanyl)-3-(prop-2-en-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

Molecular Formula	C15H18N2OS2
Molecular Weight	306.08606 g/mol
LogP	4.1
Topological Polar Surface Area	86.2 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	4
Rotatable Bonds	4
Exact Mass	306.08606
Monoisotopic Mass	306.08606
Heavy Atoms	20
Complexity	438.0

Chemical Identifiers

CAS Number	72107-15-4
SMILES	CCSC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1CC=C
InChIKey	TZMQVEKWSIRZRX-UHFFFAOYSA-N