Free Chemical Databases
-
[Synonyms]
NSC116874
[Structure]
[ Properties Computed from Structure]
Molecular Weight 258.35706 [g/mol] Molecular Formula C11H14O3S2 XLogP 2.2 H-Bond Donor 0 H-Bond Acceptor 3 Rotatable Bond Count 2 Exact Mass 258.038436 MonoIsotopic Mass 258.038436 Topological Polar Surface Area 43.4 Heavy Atom Count 16 Formal Charge 0 Complexity 321 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 1 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 1,2,4,5-tetrahydro-3-benzothiepin-1-yl methanesulfonate
Canonical SMILES: CS(=O)(=O)OC1CSCCC2=CC=CC=C12
InChI: InChI=1/C11H14O3S2/c1-16(12,13)14-11-8-15-7-6-9-4-2-3-5-10(9)11/h2-5,
11H,6-8H2,1H3
Other Chemicals
- NSC332782
- IUPAC Name: 4-dimethylstannylbutane-1-thiol,Canonical SMILES: C[SnH](C)CCCCS,InChI: InChI=1/C4H9S.2CH3.Sn.H/c1
- IUPAC Name: N-[1-(6-oxo-2-sulfanyl-3,7-dihydropurin-8-yl)-2-(3,4,,5-trimethoxyphenyl)ethenyl]benzamide,Canonic
- NSC693409,AIDS151789,AIDS-151789,NCI60_033452,Benzyl 1-(4-(5-(2-(((benzyloxy)carbonyl)amino)-3-hydroxypropyl)-
- NCI60_025438
- NSC315165
- NSC608422
- IUPAC Name: N-[[(4-dimethylaminophenyl)amino]-sulfanylmethylidene]dodecanamide,Canonical SMILES: CCCCCCCCCCCC(
- NSC699190,AIDS153154,AIDS-153154,NCI60_035523,1-Methyl-N-(3-(methyl(3-(((1-methyl-1H-benzo[g]indol-3-yl)carbon
- NSC704667,NCI60_037406,
- NSC710276
- NSC190775
- NSC700591,AIDS093788,AIDS-093788,2-[1,1-Difluoro-1-(4-methyl-pyrimidin-2-ylsulfanyl)-methyl]-benzoxazole,
- NSC382313,87136-62-7,
- NSC372042
- NSC613695,3-Amino-7-methyl-1,2,4-benzotriazine 1,4-dioxide,7-Methyl-1,4-dioxido-1,2,4-benzotriazin-3-ylamine,
- NSC705899,NCI60_037731,
- NSC366100,61554-28-7,
- NCI60_013100
- NSC402660,13137-40-1,
- NSC246087,72836-56-7,
- NSC684416,5-(2-Methoxy-1-methylethoxy)-8,9-trans-dimethyl-4-propyl-8,9-dihydro-pyrano[2,3-f]chromene-2,10-dion
- NSC667525,AIDS144578,AIDS-144578,NCI60_023501,3-Pyridinecarbonitrile, 4-(4-chlorophenyl)-1-hexopyranosyl-1,2-d
- CBMicro_041063,NSC321029,
- NSC645335,NCI60_015472,
- NSC515461,29878-94-2,
- IUPAC Name: 4-amino-6-[2-(2-hydroxynaphthalen-1-yl)ethenyl]-3-sulfanyl-1,2,,4-triazin-5-one,Canonical SMILES:
- NSC311722,39256-40-1,
- MLS000547518,NSC672089,AIDS030439,AIDS-030439,NCI60_025585,SMR000113331,3,3,3-trifluoro-2-(trifluoromethyl)-N-