AC87578
72410-06-1 | 3-Amino-3-thioxopropanamide
Manufacturer: A2B Chem
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CatalogNumber
AC87578
ChemicalName
3-Amino-3-thioxopropanamide
CasNumber
72410-06-1
MolecularFormula
C3H6N2OS
MolecularWeight
118.1575
MdlNumber
MFCD01089792
Smiles
NC(=O)CC(=S)N
Complexity
101
Covalently-bondedUnitCount
1
HeavyAtomCount
7
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
-1.2
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CatalogNumber: AC87578
ChemicalName: 3-Amino-3-thioxopropanamide
CasNumber: 72410-06-1
MolecularFormula: C3H6N2OS
MolecularWeight: 118.1575
MdlNumber: MFCD01089792
Smiles: NC(=O)CC(=S)N
Complexity: 101
Covalently-bondedUnitCount: 1
HeavyAtomCount: 7
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: -1.2
CatalogNumber:
AC87578
ChemicalName:
3-Amino-3-thioxopropanamide
CasNumber:
72410-06-1
MolecularFormula:
C3H6N2OS
MolecularWeight:
118.1575
MdlNumber:
MFCD01089792
Smiles:
NC(=O)CC(=S)N
Complexity:
101
Covalently-bondedUnitCount:
1
HeavyAtomCount:
7
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
-1.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(CC(C)(C)C)(OC)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
COC(CC(C)(C)C)(OC)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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MolecularFormula: __
MolecularWeight: __
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Smiles: [O-]C(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)c1c(C)onc1c1ccccc1.[Na+].O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-]C(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)c1c(C)onc1c1ccccc1.[Na+].O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1N[C@H](C(C)C)C(=O)N2CCC[C@H]2C(=O)N(C)CC(=O)N(C(C(=O)O[C@@H]([C@@H]1NC(=O)c1c2-c(oc3c(n2)c(cc(c3C)N)C(=O)N[C@H]2[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C(=O)[C@H]3N(C(=O)[C@H](NC2=O)C(C)C)CCC3)C)c(c(=O)c1N)C)C)C(C)C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1N[C@H](C(C)C)C(=O)N2CCC[C@H]2C(=O)N(C)CC(=O)N(C(C(=O)O[C@@H]([C@@H]1NC(=O)c1c2-c(oc3c(n2)c(cc(c3C)N)C(=O)N[C@H]2[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C(=O)[C@H]3N(C(=O)[C@H](NC2=O)C(C)C)CCC3)C)c(c(=O)c1N)C)C)C(C)C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__