AB79556
195503-40-3 | Tetrahydrothiopyran-4-carbonitrile
Manufacturer: A2B Chem
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CatalogNumber
AB79556
ChemicalName
Tetrahydrothiopyran-4-carbonitrile
CasNumber
195503-40-3
MolecularFormula
C6H9NS
MolecularWeight
127.2074
MdlNumber
MFCD09025909
Smiles
N#CC1CCSCC1
Complexity
107
Covalently-bondedUnitCount
1
HeavyAtomCount
8
HydrogenBondAcceptorCount
2
Xlogp3
1.1
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CatalogNumber: AB79556
ChemicalName: Tetrahydrothiopyran-4-carbonitrile
CasNumber: 195503-40-3
MolecularFormula: C6H9NS
MolecularWeight: 127.2074
MdlNumber: MFCD09025909
Smiles: N#CC1CCSCC1
Complexity: 107
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 2
Xlogp3: 1.1
CatalogNumber:
AB79556
ChemicalName:
Tetrahydrothiopyran-4-carbonitrile
CasNumber:
195503-40-3
MolecularFormula:
C6H9NS
MolecularWeight:
127.2074
MdlNumber:
MFCD09025909
Smiles:
N#CC1CCSCC1
Complexity:
107
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
2
Xlogp3:
1.1
CatalogNumber: AB79557
ChemicalName: Tetrahydro-4H-thiopyran-4-one
CasNumber: 1072-72-6
MolecularFormula: C5H8OS
MolecularWeight: 116.1814
MdlNumber: MFCD00006660
Smiles: O=C1CCSCC1
Complexity: 72.1
Covalently-bondedUnitCount: 1
HeavyAtomCount: 7
HydrogenBondAcceptorCount: 2
Xlogp3: 0.3
CatalogNumber:
AB79557
ChemicalName:
Tetrahydro-4H-thiopyran-4-one
CasNumber:
1072-72-6
MolecularFormula:
C5H8OS
MolecularWeight:
116.1814
MdlNumber:
MFCD00006660
Smiles:
O=C1CCSCC1
Complexity:
72.1
Covalently-bondedUnitCount:
1
HeavyAtomCount:
7
HydrogenBondAcceptorCount:
2
Xlogp3:
0.3
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Smiles: IC(=C(I)I)I
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IC(=C(I)I)I
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HydrogenBondAcceptorCount:
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Smiles: O=C1OC(c2c1cccc2)(c1cc(I)c(c(c1)I)O)c1cc(I)c(c(c1)I)O
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Smiles:
O=C1OC(c2c1cccc2)(c1cc(I)c(c(c1)I)O)c1cc(I)c(c(c1)I)O
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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Xlogp3:
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