6058
  -OEChem-01250809502D

 11 10  0     0  0  0  0  0  0999 V2000
    5.1350    0.5600    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.0600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8015    1.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044    1.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8705   -0.4149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6675   -0.4149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    0.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 11  1  0  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
1

> <PUBCHEM_COMPOUND_CID>
6058

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
10

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBCAABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHAQQAAAAAADFQASAAABAAAQAAAAAAAAAAAAAAAAAAIAAAAAAAAAAAAAAAAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-aminoethanethiol

> <PUBCHEM_IUPAC_CAS_NAME>
2-aminoethanethiol

> <PUBCHEM_IUPAC_NAME>
2-aminoethanethiol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-aminoethanethiol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-aminoethanethiol

> <PUBCHEM_NIST_INCHI>
InChI=1/C2H7NS/c3-1-2-4/h4H,1-3H2

> <PUBCHEM_CACTVS_XLOGP>
0.1

> <PUBCHEM_EXACT_MASS>
77.02992

> <PUBCHEM_MOLECULAR_FORMULA>
C2H7NS

> <PUBCHEM_MOLECULAR_WEIGHT>
77.14868

> <PUBCHEM_OPENEYE_CAN_SMILES>
C(CS)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C(CS)N

> <PUBCHEM_CACTVS_TPSA>
26

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
77.02992

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
4

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
1

> <PUBCHEM_SUBSTANCE_ID>
148937

> <PUBCHEM_SUBSTANCE_VERSION>
3

> <PUBCHEM_EXT_DATASOURCE_NAME>
ChemIDplus

> <PUBCHEM_EXT_DATASOURCE_REGID>
000060231

> <PUBCHEM_SUBSTANCE_SYNONYM>
(2-Mercaptoethyl)amine
1-Amino-2-mercaptoethylamine
139720-70-0
156-57-0
16904-32-8
2-Amino-1-ethanethiol
2-Aminoethanethiol
2-Aminoethyl mercaptan
2-Mercaptoethanamine
27761-19-9
3037-04-5
42954-15-4
60-23-1
93965-19-6
Becaptan
CCRIS 3083
CYSTEAMINE
Cisteamina [Italian]
Cystagon
Cysteamin
Cysteamine [USAN:BAN]
Cysteinamine
DRG-0003
Decarboxycysteine
EINECS 200-463-0
Ethanethiol, 2-amino-
L 1573
L-1573
Lambraten
Lambratene
MEA
MEA (mercaptan)
Mercamine
Mercaptamina [INN-Spanish]
Mercaptamine
Mercaptaminum [INN-Latin]
Mercaptoethylamine
NSC 647528
Riacon
Thioethanolamine
WR 347
beta-Aminoethanethiol
beta-Aminoethylthiol
beta-Mercaptoethylamine

> <PUBCHEM_GENERIC_REGISTRY_NAME>
139720-70-0
156-57-0
16904-32-8
27761-19-9
3037-04-5
42954-15-4
60-23-1
93965-19-6

> <PUBCHEM_XREF_EXT_ID>
000060231

> <PUBCHEM_EXT_DATASOURCE_URL>
http://chem.sis.nlm.nih.gov/chemidplus/

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://chem.sis.nlm.nih.gov/chemidplus/direct.jsp?result=advanced&regno=000060231

> <PUBCHEM_CID_ASSOCIATIONS>
6058  1

$$$$