AB78867
544-47-8 | S-(4-Chlorobenzyl)isothiouronium chloride
Manufacturer: A2B Chem
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CatalogNumber
AB78867
ChemicalName
S-(4-Chlorobenzyl)isothiouronium chloride
CasNumber
544-47-8
MolecularFormula
C8H10Cl2N2S
MolecularWeight
237.1494
MdlNumber
MFCD00012584
Smiles
NC(=N)SCc1ccc(cc1)Cl.Cl
Complexity
155
Covalently-bondedUnitCount
2
HeavyAtomCount
13
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
3
RotatableBondCount
3
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CatalogNumber: AB78867
ChemicalName: S-(4-Chlorobenzyl)isothiouronium chloride
CasNumber: 544-47-8
MolecularFormula: C8H10Cl2N2S
MolecularWeight: 237.1494
MdlNumber: MFCD00012584
Smiles: NC(=N)SCc1ccc(cc1)Cl.Cl
Complexity: 155
Covalently-bondedUnitCount: 2
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 3
RotatableBondCount: 3
CatalogNumber:
AB78867
ChemicalName:
S-(4-Chlorobenzyl)isothiouronium chloride
CasNumber:
544-47-8
MolecularFormula:
C8H10Cl2N2S
MolecularWeight:
237.1494
MdlNumber:
MFCD00012584
Smiles:
NC(=N)SCc1ccc(cc1)Cl.Cl
Complexity:
155
Covalently-bondedUnitCount:
2
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
3
RotatableBondCount:
3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#CCCCCSC(=O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
N#CCCCCSC(=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc(cc1)CSC[C@@H](C(=O)O)N
Complexity: 217
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc(cc1)CSC[C@@H](C(=O)O)N
Complexity:
217
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2SCc1ccc(cc1)[N+](=O)[O-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2SCc1ccc(cc1)[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__