2-thiocytidine (Q20890505)

2-Thiocytidine (English)

5 October 2016

chemical formula

C₉H₁₃N₃O₄S

1 reference

2-Thiocytidine (English)

5 October 2016

canonical SMILES

C1=CN(C(=S)N=C1N)C2C(C(C(O2)CO)O)O

1 reference

2-Thiocytidine (English)

5 October 2016

isomeric SMILES

C1=CN(C(=S)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O

1 reference

2-Thiocytidine (English)

InChI=1S/C9H13N3O4S/c10-5-1-2-12(9(17)11-5)8-7(15)6(14)4(3-13)16-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,17)/t4-,6-,7-,8-/m1/s1

5 October 2016

Identifiers

InChI

1 reference

2-Thiocytidine (English)

RHFUOMFWUGWKKO-XVFCMESISA-N

5 October 2016

InChIKey

2 references

2-Thiocytidine (English)

5 October 2016

stated in

ChEBI release 2020-09-01

2 references

2-thiocytidine (English)

RHFUOMFWUGWKKO-XVFCMESISA-N

5 October 2016

InChIKey

8 April 2021

https://commonchemistry.cas.org/detail?cas_rn=13239-97-9

1 reference

4-Amino-1-(beta-D-ribofuranosyl)-2(1H)-pyrimidinethione (English)

5 October 2016

1 reference

2-Thiocytidine (English)

5 October 2016

Reaxys registry number

542509

1 reference

2-thiocytidine (English)

5 October 2016

ChEBI ID

19780

mapping relation type

2 references

2-thiocytidine (English)

matched by identifier from

5 October 2016

International Chemical Identifier

InChI

InChI=1S/C9H13N3O4S/c10-5-1-2-12(9(17)11-5)8-7(15)6(14)4(3-13)16-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,17)/t4-,6-,7-,8-/m1/s1

SureChEMBL ID

SCHEMBL42103

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

RHFUOMFWUGWKKO-XVFCMESISA-N

1 reference

1 reference

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

DSSTOX compound identifier

DTXCID3080007

0 references

EC number

236-214-8

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.032.908

27 December 2018

ECHA Substance Infocard ID

2-thiocytidine (English)

quotation

CAS no.: 13239-97-9 (English)

100.032.908

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.032.908

27 December 2018